N-Nonan-2-ylidenehydroxylamine Green Fresh Floral Cucumber 112630-67-8 112630-67-8 Cucumber Floral Fresh Green Common Name :N-Nonan-2-ylidenehydroxylamine IUPAC Name :N-nonan-2-ylidenehydroxylamine Molecular Formula :C9H19NO SMILES :CCCCCCCC(=NO)C Inchi :1S/C9H19NO/c1-3-4-5-6-7-8-9(2)10-11/h11H,3-8H2,1-2H3 Inchi Key :HHONKRXRGXJUCW-UHFFFAOYSA-N Cas No :112630-67-8
Name Value Lipinski Violations 0 Ghose Violations 1 Veber Violations 0 Egan Violations 0 Muegge Violations 1
Name Value Molecular Weight (g/mol) 157.25 Mass (g/mol) 157.147 Molar Refractivity 49.79 Net Charge HBD 1 HBA 2 Rt Bonds 6 Rings TPSA 32.59 Hetero Atoms 2 Heavy Atoms 11 Aromatic Heavy Atoms 0 Melting Point (°C) Boiling Point (°C@760.00mm Hg) 246.47 Vapor Pressure (mmHg@25.00 °C) 0.009 Vapor Density (Air =1) Fraction Csp3 0.89 LogP 3.197 iLOGP 2.68 XLOGP3 3.40 WLOGP 3.20 MLOGP 2.28 ESOL Log S -2.56 ESOL Solubility (mg/ml) 0.432 ESOL Solubility (mol/l) 0.003 ESOL Class: esol_class Soluble Ali Log S -3.76 Ali Solubility (mg/ml) 0.03 Ali Solubility (mol/l) 0 Ali Class Soluble Silicos-IT LogSw -2.59 Silicos-IT Solubility (mg/ml) 0.41 Silicos-IT Solubility (mol/l) 0 Silicos-IT Class Soluble
Name Value GI Absorption High BBB Permeable 1 PgP Substrate 0 Log Kp (cm/s) -4.85 Bioavailability Score 0.55 Caco2 1 Human Intestinal Absorption 1 Plasm Protein Binding 0.591 CYP1A2 Inhibitor 0 CYP2C19 Inhibitor 0 CYP2C9 Inhibitor 0 CYP2D6 inhibitor 0 CYP3A4 inhibitor 0 Ames mutagenesis 0 Acute Oral Toxicity 2.589 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
