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Nickel formate

Odors

No information available

Receptor Interaction

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

General Information

Common Name: Nickel formate
IUPAC Name: nickel(2+);diformate
Molecular Formula: C2H2NiO4
SMILES: C(=O)[O-].C(=O)[O-].[Ni+2]
Inchi: 1S/2CH2O2.Ni/c2*2-1-3;/h2*1H,(H,2,3);/q;;+2/p-2
Inchi Key: HZPNKQREYVVATQ-UHFFFAOYSA-L
Cas No: 3349-06--2

Functional Group

Drug Likeness

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

Cross References

PubChem: 27506
OdoRactor: View

Physicochemical properties

Name Value
Molecular Weight (g/mol) 148.73
Mass (g/mol) 147.931
Molar Refractivity 14.28
Net Charge
HBD
HBA 4
Rt Bonds 0
Rings
TPSA 80.26
Hetero Atoms
Heavy Atoms 7
Aromatic Heavy Atoms 0
Melting Point (°C)
Boiling Point (°C@760.00mm Hg) Decomposes at 200-250
Vapor Pressure (mmHg@25.00 °C)
Vapor Density (Air =1)
Fraction Csp3 0.00
LogP
iLOGP 0.00
XLOGP3 -0.39
WLOGP -3.27
MLOGP -1.51
ESOL Log S -0.52
ESOL Solubility (mg/ml) 45.3
ESOL Solubility (mol/l) 0.304
ESOL Class: esol_class Very soluble
Ali Log S -0.83
Ali Solubility (mg/ml) 21.9
Ali Solubility (mol/l) 0.15
Ali Class Very soluble
Silicos-IT LogSw 0.97
Silicos-IT Solubility (mg/ml) 1400
Silicos-IT Solubility (mol/l) 9.4
Silicos-IT Class Soluble

Pharmacokinetic profile

Name Value
GI Absorption Low
BBB Permeable 0
PgP Substrate 0
Log Kp (cm/s) -7.48
Bioavailability Score 0.55
Caco2 0
Human Intestinal Absorption 1
Plasm Protein Binding 0.631
CYP1A2 Inhibitor 0
CYP2C19 Inhibitor 0
CYP2C9 Inhibitor 0
CYP2D6 inhibitor 0
CYP3A4 inhibitor 0
Ames mutagenesis 0
Acute Oral Toxicity 2.688
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