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Formic acid, nickel salt

Odors

No information available

Receptor Interaction

No receptors available
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2D Structure
3D Conformer
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General Information

Common Name: Formic acid, nickel salt
IUPAC Name: formic acid;nickel
Molecular Formula: C2H4NiO4
SMILES: C(=O)O.C(=O)O.[Ni]
Inchi: 1S/2CH2O2.Ni/c2*2-1-3;/h2*1H,(H,2,3);
Inchi Key: RLECTHJZLCHILZ-UHFFFAOYSA-N
Cas No: 15843-02-4

Functional Group

Drug Likeness

Name Value
Lipinski Violations 0
Ghose Violations 4
Veber Violations 0
Egan Violations 0
Muegge Violations 2

Cross References

PubChem: 73557423
OdoRactor: View

Physicochemical properties

Name Value
Molecular Weight (g/mol) 150.74
Mass (g/mol) 149.946
Molar Refractivity 18.16
Net Charge
HBD 2
HBA 4
Rt Bonds 0
Rings
TPSA 74.60
Hetero Atoms
Heavy Atoms 7
Aromatic Heavy Atoms 0
Melting Point (°C)
Boiling Point (°C@760.00mm Hg)
Vapor Pressure (mmHg@25.00 °C)
Vapor Density (Air =1)
Fraction Csp3 0.00
LogP
iLOGP 0.00
XLOGP3 -0.39
WLOGP -0.60
MLOGP -1.51
ESOL Log S -0.53
ESOL Solubility (mg/ml) 44.6
ESOL Solubility (mol/l) 0.296
ESOL Class: esol_class Very soluble
Ali Log S -0.71
Ali Solubility (mg/ml) 29.2
Ali Solubility (mol/l) 0.19
Ali Class Very soluble
Silicos-IT LogSw 0.97
Silicos-IT Solubility (mg/ml) 1420
Silicos-IT Solubility (mol/l) 9.4
Silicos-IT Class Soluble

Pharmacokinetic profile

Name Value
GI Absorption High
BBB Permeable 0
PgP Substrate 0
Log Kp (cm/s) -7.50
Bioavailability Score 0.85
Caco2 0
Human Intestinal Absorption 1
Plasm Protein Binding 0.585
CYP1A2 Inhibitor 0
CYP2C19 Inhibitor 0
CYP2C9 Inhibitor 0
CYP2D6 inhibitor 0
CYP3A4 inhibitor 0
Ames mutagenesis 0
Acute Oral Toxicity 3.646
Carcinogenicity (Binary) 0
Carcinogenicity (Trinary) Non-required
Eye Irritation 1
Hepatotoxicity 0
Androgen Receptor Binding 0
Aromatase Binding 0
Estrogen Receptor Binding 0
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