1-(2-Fluoro-5-nitrophenyl)ethanone

Name: 1-(2-Fluoro-5-nitrophenyl)ethanone
SKU: PI79110057
Rating: 5 (1 reviews)

Cat. No.: PI79110057

Product Details Other Identifiers Computed Properties

CAS	79110-05-7
Purity	98%
Molecular Formula	C8H6FNO3
Molecular Weight	183.14
Molar Refractivity	45.42

Pubchem ID	2781067
InChI Key	BCXOSCQTHVTUET-UHFFFAOYSA-N
MDL Number	MFCD00277867

Aromatic Heavy Atoms Number	6
BBB Permeant	Yes
Bioavailability Score	0.55
Brenk	2.0 alert
Consensus Log Po/w	1.29
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	13
Hydrogen Bond Acceptor Count	4.0
Hydrogen Bond Donor Count	0.0
Leadlikeness	1.0
Lipinski	0.0
Log Kp (Skin Permeation)	-6.32 cm/s
Log Po/w (iLOGP)	1.09
Log Po/w (MLOGP)	1.02
Log Po/w (SILICOS-IT)	0.43
Log Po/w (WLOGP)	2.36
Log Po/w (XLOGP3)	1.54
Muegge	1.0
PAINS	0.0 alert
P-gp Substrate	No
Rotatable Bond Count	2
Synthetic Accessibility	1.79
Topological Polar Surface Area	62.89 Å²
Veber	0.0

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