2,6-Difluorobenzene-1-sulfonyl chloride

Cat. No.: PI60230366

Product Details Other Identifiers Computed Properties

CAS	60230-36-6
Purity	98%
Molecular Formula	C6H3ClF2O2S
Molecular Weight	212.60
Molar Refractivity	39.44

Pubchem ID	2734271
InChI Key	QXWAUQMMMIMLTO-UHFFFAOYSA-N
MDL Number	MFCD00085004

Hydrogen Bond Donor Count	0.0
Hydrogen Bond Acceptor Count	4.0
Rotatable Bond Count	1
Topological Polar Surface Area	42.52 Å²
Heavy Atom Count	12
Aromatic Heavy Atoms Number	6
Fraction Csp3	0.0
Log Po/w (iLOGP)	1.52
Log Po/w (XLOGP3)	2.15
Log Po/w (WLOGP)	3.81
Log Po/w (MLOGP)	2.38
Log Po/w (SILICOS-IT)	2.22
Consensus Log Po/w	2.42
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	No
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-6.07 cm/s
Lipinski	0.0
Ghose	None
Veber	0.0
Egan	0.0
Muegge	0.0
Bioavailability Score	0.55
PAINS	0.0 alert
Brenk	0.0 alert
Leadlikeness	1.0
Synthetic Accessibility	1.87

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