4-Fluorophenyl methyl sulfone

Cat. No.: PI455152

Product Details Other Identifiers Computed Properties

CAS	455-15-2
Purity	97%
Molecular Formula	C7H7FO2S
Molecular Weight	174.19
Molar Refractivity	39.49

Pubchem ID	67994
InChI Key	DPJHZJGAGIWXTD-UHFFFAOYSA-N
MDL Number	MFCD00039753

Hydrogen Bond Donor Count	0.0
Hydrogen Bond Acceptor Count	3.0
Rotatable Bond Count	1
Topological Polar Surface Area	42.52 Å²
Heavy Atom Count	11
Aromatic Heavy Atoms Number	6
Fraction Csp3	0.14
Log Po/w (iLOGP)	1.35
Log Po/w (XLOGP3)	0.66
Log Po/w (WLOGP)	2.73
Log Po/w (MLOGP)	1.95
Log Po/w (SILICOS-IT)	1.54
Consensus Log Po/w	1.65
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	No
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-6.89 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	0.0 alert
Leadlikeness	1.0
Synthetic Accessibility	1.84

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