2-Bromo-3-nitrophenol

Name: 2-Bromo-3-nitrophenol
SKU: PI101935404
Rating: 5 (1 reviews)

Cat. No.: PI101935404

Product Details Other Identifiers Computed Properties

CAS	101935-40-4
Purity	98%
Molecular Formula	C6H4BrNO3
Molecular Weight	218.01
Molar Refractivity	44.99

Pubchem ID	8167254
InChI Key	HRVRWIBVVHOHNN-UHFFFAOYSA-N
MDL Number	MFCD08704555

Aromatic Heavy Atoms Number	6
BBB Permeant	Yes
Bioavailability Score	0.55
Brenk	2.0 alert
Consensus Log Po/w	1.28
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	11
Hydrogen Bond Acceptor Count	3.0
Hydrogen Bond Donor Count	1.0
Leadlikeness	1.0
Lipinski	0.0
Log Kp (Skin Permeation)	-6.15 cm/s
Log Po/w (iLOGP)	1.31
Log Po/w (MLOGP)	1.05
Log Po/w (SILICOS-IT)	-0.1
Log Po/w (WLOGP)	2.06
Log Po/w (XLOGP3)	2.09
Muegge	0.0
PAINS	0.0 alert
P-gp Substrate	No
Rotatable Bond Count	1
Synthetic Accessibility	1.92
Topological Polar Surface Area	66.05 Å²
Veber	0.0

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