2-Bromo-1-(6-bromonaphthalen-2-yl)ethanone

Cat. No.: PI50637837

Product Details Other Identifiers Computed Properties

CAS	50637-83-7
Purity	95%
Molecular Formula	C12H8Br2O
Molecular Weight	328.00
Molar Refractivity	69.71

Pubchem ID	12698898
InChI Key	CVLAZUXWINTOCV-UHFFFAOYSA-N
MDL Number	MFCD24186238

Hydrogen Bond Donor Count	0.0
Hydrogen Bond Acceptor Count	1.0
Rotatable Bond Count	2
Topological Polar Surface Area	17.07 Å²
Heavy Atom Count	15
Aromatic Heavy Atoms Number	10
Fraction Csp3	0.08
Log Po/w (iLOGP)	2.49
Log Po/w (XLOGP3)	4.34
Log Po/w (WLOGP)	4.18
Log Po/w (MLOGP)	3.82
Log Po/w (SILICOS-IT)	4.51
Consensus Log Po/w	3.87
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	No
CYP1A2Inhibitor	Yes
CYP2C19Inhibitor	Yes
CYP2C9Inhibitor	Yes
CYP2D6Inhibitor	Yes
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-5.22 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	1.0 alert
Leadlikeness	1.0
Synthetic Accessibility	1.66

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