5-Bromo-2-naphthoic acid

Name: 5-Bromo-2-naphthoic acid
SKU: PI1013838
Rating: 5 (1 reviews)

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

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

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