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Triphenyltin hydroxide

Odors

No information available

Receptor Interaction

No receptors available
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2D Structure
3D Conformer
image of chemical
 

General Information

Common Name: Triphenyltin hydroxide
IUPAC Name: null
Molecular Formula: C18H16OSn
SMILES: C1=CC=C(C=C1)[Sn](C2=CC=CC=C2)C3=CC=CC=C3.O
Inchi: 1S/3C6H5.H2O.Sn/c3*1-2-4-6-5-3-1;;/h3*1-5H;1H2;
Inchi Key: NRHFWOJROOQKBK-UHFFFAOYSA-N
Cas No: 76-87-9

Functional Group

Drug Likeness

Name Value
Lipinski Violations 0
Ghose Violations 0
Veber Violations 0
Egan Violations 0
Muegge Violations 1

Cross References

PubChem: 6327657
Zinc: ZINC169876287
OdoRactor: View

Physicochemical properties

Name Value
Molecular Weight (g/mol) 368.03
Mass (g/mol) 369.03
Molar Refractivity 87.03
Net Charge
HBD 1
HBA 1
Rt Bonds 3
Rings 3
TPSA 9.23
Hetero Atoms 2
Heavy Atoms 20
Aromatic Heavy Atoms 18
Melting Point (°C) 119
Boiling Point (°C@760.00mm Hg)
Vapor Pressure (mmHg@25.00 °C) 3.53X10-7
Vapor Density (Air =1)
Fraction Csp3 0.00
LogP 1.646
iLOGP 0.00
XLOGP3 4.85
WLOGP 2.14
MLOGP 4.09
ESOL Log S -5.65
ESOL Solubility (mg/ml) 0.001
ESOL Solubility (mol/l) 0
ESOL Class: esol_class Moderately soluble
Ali Log S -4.78
Ali Solubility (mg/ml) 0.01
Ali Solubility (mol/l) 0
Ali Class Moderately soluble
Silicos-IT LogSw -7.80
Silicos-IT Solubility (mg/ml) 0
Silicos-IT Solubility (mol/l) 0
Silicos-IT Class Poorly soluble

Pharmacokinetic profile

Name Value
GI Absorption High
BBB Permeable 1
PgP Substrate 0
Log Kp (cm/s) -5.10
Bioavailability Score 0.55
Caco2 1
Human Intestinal Absorption 1
Plasm Protein Binding 0.748
CYP1A2 Inhibitor 1
CYP2C19 Inhibitor 0
CYP2C9 Inhibitor 0
CYP2D6 inhibitor 1
CYP3A4 inhibitor 0
Ames mutagenesis 0
Acute Oral Toxicity 3.511
Carcinogenicity (Binary) 1
Carcinogenicity (Trinary) Non-required
Eye Irritation 1
Hepatotoxicity 1
Androgen Receptor Binding 0
Aromatase Binding 1
Estrogen Receptor Binding 1
Glucocorticoid Receptor Binding 0
Thyroid Receptor Binding 0
BRCP inhibitor 0
BSEP inhibitor 0
OATP1B1 inhibitor 1
OATP1B3 inhibitor 1
OATP2B1 inhibitor 0
OCT1 inhibitor 0
OCT2 inhibitor 0