4-Nitrobenzyl alcohol

Name: 4-Nitrobenzyl alcohol
SKU: PI619738
Rating: 5 (1 reviews)

Catalog NumberPI619738

CAS Number619-73-8

CategoryAntibacterials Intermediates

Product Details

Purity	97%
Molecular Formula	C7H7NO3
Molecular Weight	153.14
Molar Refractivity	41.39

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Other Identifiers

Pubchem ID	69275
InChI Key	JKTYGPATCNUWKN-UHFFFAOYSA-N
MDL Number	MFCD00007376

Computed Properties

Aromatic Heavy Atoms Number	6
BBB Permeant	No
Bioavailability Score	0.55
Brenk	2.0 alert
Consensus Log Po/w	0.67
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Egan	0.0
Fraction Csp3	0.14
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)	-6.34 cm/s
Log Po/w (iLOGP)	1.28
Log Po/w (MLOGP)	0.34
Log Po/w (SILICOS-IT)	-0.49
Log Po/w (WLOGP)	0.94
Log Po/w (XLOGP3)	1.26
Muegge	1.0
PAINS	0.0 alert
P-gp Substrate	No
Rotatable Bond Count	2
Synthetic Accessibility	1.42
Topological Polar Surface Area	66.05 Å²
Veber	0.0

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