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

Cat. No.: PI102308974

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

Hydrogen Bond Donor Count	1.0
Hydrogen Bond Acceptor Count	0.0
Rotatable Bond Count	0
Topological Polar Surface Area	30.95 Å²
Heavy Atom Count	11
Aromatic Heavy Atoms Number	9
Fraction Csp3	0.11
Log Po/w (iLOGP)	1.58
Log Po/w (XLOGP3)	2.04
Log Po/w (WLOGP)	1.77
Log Po/w (MLOGP)	1.23
Log Po/w (SILICOS-IT)	1.23
Consensus Log Po/w	1.57
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	No
CYP1A2Inhibitor	Yes
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-5.74 cm/s
Lipinski	0.0
Ghose	None
Veber	0.0
Egan	0.0
Muegge	1.0
Bioavailability Score	0.55
PAINS	1.0 alert
Brenk	1.0 alert
Leadlikeness	1.0
Synthetic Accessibility	1.2

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