2-(3-Fluorophenyl)acetonitrile

Name: 2-(3-Fluorophenyl)acetonitrile
SKU: PI501008
Rating: 5 (1 reviews)

Cat. No.: PI501008

Product Details Other Identifiers Computed Properties

CAS	501-00-8
Purity	98%
Molecular Formula	C8H6FN
Molecular Weight	135.14
Molar Refractivity	35.92

Pubchem ID	68145
InChI Key	DEJPYROXSVVWIE-UHFFFAOYSA-N
MDL Number	MFCD00001907

Aromatic Heavy Atoms Number	6
BBB Permeant	Yes
Bioavailability Score	0.55
Brenk	0.0 alert
Consensus Log Po/w	2.15
CYP1A2Inhibitor	Yes
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Egan	0.0
Fraction Csp3	0.12
Ghose	None
GI Absorption	High
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2.0
Hydrogen Bond Donor Count	0.0
Leadlikeness	1.0
Lipinski	0.0
Log Kp (Skin Permeation)	-5.68 cm/s
Log Po/w (iLOGP)	1.62
Log Po/w (MLOGP)	2.21
Log Po/w (SILICOS-IT)	2.55
Log Po/w (WLOGP)	2.31
Log Po/w (XLOGP3)	2.04
Muegge	2.0
PAINS	0.0 alert
P-gp Substrate	No
Rotatable Bond Count	1
Synthetic Accessibility	1.21
Topological Polar Surface Area	23.79 Å²
Veber	0.0

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