m-Aminoacetanilide

Cat. No.: PI102283

Product Details Other Identifiers Computed Properties

CAS	102-28-3
Synonyms	N-(3-Aminophenyl)acetamide
Purity	98%
Molecular Formula	C8H10N2O
Molecular Weight	150.18
Molar Refractivity	45.16

Pubchem ID	7604
InChI Key	PEMGGJDINLGTON-UHFFFAOYSA-N
MDL Number	MFCD00025229

Hydrogen Bond Donor Count	2.0
Hydrogen Bond Acceptor Count	1.0
Rotatable Bond Count	2
Topological Polar Surface Area	55.12 Å²
Heavy Atom Count	11
Aromatic Heavy Atoms Number	6
Fraction Csp3	0.12
Log Po/w (iLOGP)	1.11
Log Po/w (XLOGP3)	0.87
Log Po/w (WLOGP)	1.04
Log Po/w (MLOGP)	0.91
Log Po/w (SILICOS-IT)	0.65
Consensus Log Po/w	0.92
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	No
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-6.6 cm/s
Lipinski	0.0
Ghose	None
Veber	0.0
Egan	0.0
Muegge	1.0
Bioavailability Score	0.55
PAINS	0.0 alert
Brenk	1.0 alert
Leadlikeness	1.0
Synthetic Accessibility	1.3

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