(5-Chloro-2-iodophenyl)(2,6-difluorophenyl)methanone

Cat. No.: PI869365979

Product Details Other Identifiers Computed Properties

CAS	869365-97-9
Purity	98%
Molecular Formula	C13H6ClF2IO
Molecular Weight	378.54
Molar Refractivity	73.96

Pubchem ID	46835488
InChI Key	MVEWMRFXBCKZMY-UHFFFAOYSA-N
MDL Number	MFCD10565698

Hydrogen Bond Donor Count	0.0
Hydrogen Bond Acceptor Count	3.0
Rotatable Bond Count	2
Topological Polar Surface Area	17.07 Å²
Heavy Atom Count	18
Aromatic Heavy Atoms Number	12
Fraction Csp3	0.0
Log Po/w (iLOGP)	2.64
Log Po/w (XLOGP3)	4.74
Log Po/w (WLOGP)	5.29
Log Po/w (MLOGP)	5.08
Log Po/w (SILICOS-IT)	5.8
Consensus Log Po/w	4.71
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	No
CYP1A2Inhibitor	Yes
CYP2C19Inhibitor	Yes
CYP2C9Inhibitor	Yes
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-5.24 cm/s
Lipinski	1.0
Ghose	None
Veber	0.0
Egan	0.0
Muegge	1.0
Bioavailability Score	0.55
PAINS	0.0 alert
Brenk	1.0 alert
Leadlikeness	2.0
Synthetic Accessibility	2.3

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