5-Bromo-2-naphthoic acid

Cat. No.: PI1013838

Product Details Other Identifiers Computed Properties

CAS	1013-83-8
Purity	95%
Molecular Formula	C11H7BrO2
Molecular Weight	251.08
Molar Refractivity	58.61

Pubchem ID	14960646
InChI Key	QPOQPJDDJJNVRY-UHFFFAOYSA-N
MDL Number	MFCD08236734

Hydrogen Bond Donor Count	1.0
Hydrogen Bond Acceptor Count	2.0
Rotatable Bond Count	1
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	14
Aromatic Heavy Atoms Number	10
Fraction Csp3	0.0
Log Po/w (iLOGP)	1.96
Log Po/w (XLOGP3)	3.39
Log Po/w (WLOGP)	3.3
Log Po/w (MLOGP)	3.32
Log Po/w (SILICOS-IT)	3.0
Consensus Log Po/w	3.0
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	No
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-5.42 cm/s
Lipinski	0.0
Ghose	None
Veber	0.0
Egan	0.0
Muegge	0.0
Bioavailability Score	0.56
PAINS	0.0 alert
Brenk	0.0 alert
Leadlikeness	0.0
Synthetic Accessibility	1.14

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