4-Hydroxy-3-nitrobenzonitrile

Name: 4-Hydroxy-3-nitrobenzonitrile
SKU: PI3272080
Rating: 5 (1 reviews)

Cat. No.: PI3272080

Product Details Other Identifiers Computed Properties

CAS	3272-08-0
Purity	98%
Molecular Formula	C7H4N2O3
Molecular Weight	164.12
Molar Refractivity	42.0

Pubchem ID	76758
InChI Key	INBLGVOPOSGVTA-UHFFFAOYSA-N
MDL Number	MFCD00070775

Aromatic Heavy Atoms Number	6
BBB Permeant	No
Bioavailability Score	0.55
Brenk	2.0 alert
Consensus Log Po/w	0.43
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	Yes
Egan	0.0
Fraction Csp3	0.0
Ghose	None
GI Absorption	High
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4.0
Hydrogen Bond Donor Count	1.0
Leadlikeness	1.0
Lipinski	0.0
Log Kp (Skin Permeation)	-6.34 cm/s
Log Po/w (iLOGP)	0.74
Log Po/w (MLOGP)	-0.31
Log Po/w (SILICOS-IT)	-0.82
Log Po/w (WLOGP)	1.17
Log Po/w (XLOGP3)	1.36
Muegge	1.0
PAINS	0.0 alert
P-gp Substrate	No
Rotatable Bond Count	1
Synthetic Accessibility	1.82
Topological Polar Surface Area	89.84 Å²
Veber	0.0

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