5-Nitrobenzofuran-2-carboxylic acid

Cat. No.: PI10242123

Product Details Other Identifiers Computed Properties

CAS	10242-12-3
Purity	98%
Molecular Formula	C9H5NO5
Molecular Weight	207.14
Molar Refractivity	52.0

Pubchem ID	1477128
InChI Key	LZKWLHXJPIKJSJ-UHFFFAOYSA-N
MDL Number	MFCD00060513

Hydrogen Bond Donor Count	1.0
Hydrogen Bond Acceptor Count	5.0
Rotatable Bond Count	2
Topological Polar Surface Area	96.26 Å²
Heavy Atom Count	15
Aromatic Heavy Atoms Number	9
Fraction Csp3	0.0
Log Po/w (iLOGP)	0.99
Log Po/w (XLOGP3)	2.24
Log Po/w (WLOGP)	2.04
Log Po/w (MLOGP)	0.06
Log Po/w (SILICOS-IT)	-0.43
Consensus Log Po/w	0.98
GI Absorption	High
BBB Permeant	No
P-gp Substrate	No
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-5.97 cm/s
Lipinski	0.0
Ghose	None
Veber	0.0
Egan	0.0
Muegge	0.0
Bioavailability Score	0.56
PAINS	0.0 alert
Brenk	2.0 alert
Leadlikeness	1.0
Synthetic Accessibility	2.31

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