OlfactionBase: A repository of Odors, Odorants, Olfactory Receptors and related information
  1. Home
  2. Odorants

Ammonium hydroxide

Odors

Receptor Interaction

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

General Information

Common Name: Ammonium hydroxide
IUPAC Name: azanium;hydroxide
Molecular Formula: H5NO
SMILES: [NH4+].[OH-]
Inchi: 1S/H3N.H2O/h1H3;1H2
Inchi Key: VHUUQVKOLVNVRT-UHFFFAOYSA-N
Cas No: 1336-21-6

Functional Group

Amines

Drug Likeness

Name Value
Lipinski Violations 1
Ghose Violations 1
Veber Violations 0
Egan Violations 0
Muegge Violations 2

Cross References

PubChem: 14923
OdoRactor: View
TGSC: View

Physicochemical properties

Name Value
Molecular Weight (g/mol) 35.05
Mass (g/mol) 35.037
Molar Refractivity 7.92
Net Charge
HBD
HBA 0
Rt Bonds 0
Rings
TPSA 23.06
Hetero Atoms
Heavy Atoms 2
Aromatic Heavy Atoms 0
Melting Point (°C) -58 (25%)
Boiling Point (°C@760.00mm Hg) 165
Vapor Pressure (mmHg@25.00 °C) 5990
Vapor Density (Air =1)
Fraction Csp3 0.80
LogP
iLOGP 2.59
XLOGP3 4.16
WLOGP 3.00
MLOGP 4.29
ESOL Log S -3.31
ESOL Solubility (mg/ml) 0.067
ESOL Solubility (mol/l) 0
ESOL Class: esol_class Soluble
Ali Log S -3.87
Ali Solubility (mg/ml) 0.02
Ali Solubility (mol/l) 0
Ali Class Soluble
Silicos-IT LogSw -2.48
Silicos-IT Solubility (mg/ml) 0.46
Silicos-IT Solubility (mol/l) 0
Silicos-IT Class Soluble

Pharmacokinetic profile

Name Value
GI Absorption Low
BBB Permeable 1
PgP Substrate 0
Log Kp (cm/s) -4.18
Bioavailability Score 0.55
Caco2 1
Human Intestinal Absorption 0
Plasm Protein Binding -0.035
CYP1A2 Inhibitor 0
CYP2C19 Inhibitor 0
CYP2C9 Inhibitor 1
CYP2D6 inhibitor 0
CYP3A4 inhibitor 0
Ames mutagenesis 0
Acute Oral Toxicity -0.071
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