Benzoic anhydride

Name: Benzoic anhydride
SKU: PI93970
Rating: 5 (1 reviews)

Catalog NumberPI93970

CAS Number93-97-0

CategoryAntineoplastics Intermediates

Product Details

Purity	95%
Molecular Formula	C14H10O3
Molecular Weight	226.23
Molar Refractivity	62.63

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Other Identifiers

Pubchem ID	7167
InChI Key	CHIHQLCVLOXUJW-UHFFFAOYSA-N
MDL Number	MFCD00003073

Computed Properties

Aromatic Heavy Atoms Number	12
BBB Permeant	Yes
Bioavailability Score	0.55
Brenk	2.0 alert
Consensus Log Po/w	2.67
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	17
Hydrogen Bond Acceptor Count	3.0
Hydrogen Bond Donor Count	0.0
Leadlikeness	1.0
Lipinski	0.0
Log Kp (Skin Permeation)	-6.08 cm/s
Log Po/w (iLOGP)	2.05
Log Po/w (MLOGP)	3.54
Log Po/w (SILICOS-IT)	2.81
Log Po/w (WLOGP)	2.68
Log Po/w (XLOGP3)	2.26
Muegge	0.0
PAINS	0.0 alert
P-gp Substrate	No
Rotatable Bond Count	4
Synthetic Accessibility	1.53
Topological Polar Surface Area	43.37 Å²
Veber	0.0

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