1-Methyl-1H-indol-5-amine

1-Methyl-1H-indol-5-amine

Cat. No.: PI102308974

1-Methyl-1H-indol-5-amine
Product Details Other Identifiers Computed Properties
CAS 102308-97-4
Purity 98%
Molecular Formula C9H10N2
Molecular Weight 146.19
Molar Refractivity 47.6
Pubchem ID 2769564
InChI Key PGTSGPCXPIFQEL-UHFFFAOYSA-N
MDL Number MFCD03839873
Aromatic Heavy Atoms Number 9
BBB Permeant Yes
Bioavailability Score 0.55
Brenk 1.0 alert
Consensus Log Po/w 1.57
CYP1A2Inhibitor Yes
CYP2C19Inhibitor No
CYP2C9Inhibitor No
CYP2D6Inhibitor No
CYP3A4Inhibitor No
Egan 0.0
Fraction Csp3 0.11
Ghose None
GI Absorption High
Heavy Atom Count 11
Hydrogen Bond Acceptor Count 0.0
Hydrogen Bond Donor Count 1.0
Leadlikeness 1.0
Lipinski 0.0
Log Kp (Skin Permeation) -5.74 cm/s
Log Po/w (iLOGP) 1.58
Log Po/w (MLOGP) 1.23
Log Po/w (SILICOS-IT) 1.23
Log Po/w (WLOGP) 1.77
Log Po/w (XLOGP3) 2.04
Muegge 1.0
PAINS 1.0 alert
P-gp Substrate No
Rotatable Bond Count 0
Synthetic Accessibility 1.2
Topological Polar Surface Area 30.95 Ų
Veber 0.0

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