4-Oxo-1,4-dihydroquinoline-3-carboxylic acid

Name: 4-Oxo-1,4-dihydroquinoline-3-carboxylic acid
SKU: PI13721012
Rating: 5 (1 reviews)

Cat. No.: PI13721012

Product Details Other Identifiers Computed Properties

CAS	13721-01-2
Purity	97%
Molecular Formula	C10H7NO3
Molecular Weight	189.17
Molar Refractivity	51.53

Pubchem ID	220875
InChI Key	ILNJBIQQAIIMEY-UHFFFAOYSA-N
MDL Number	MFCD00498984

Hydrogen Bond Donor Count	2.0
Hydrogen Bond Acceptor Count	3.0
Rotatable Bond Count	1
Topological Polar Surface Area	70.16 Å²
Heavy Atom Count	14
Aromatic Heavy Atoms Number	10
Fraction Csp3	0.0
Log Po/w (iLOGP)	0.75
Log Po/w (XLOGP3)	1.84
Log Po/w (WLOGP)	1.23
Log Po/w (MLOGP)	0.41
Log Po/w (SILICOS-IT)	1.94
Consensus Log Po/w	1.23
GI Absorption	High
BBB Permeant	No
P-gp Substrate	No
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-6.15 cm/s
Lipinski	0.0
Ghose	None
Veber	0.0
Egan	0.0
Muegge	1.0
Bioavailability Score	0.56
PAINS	0.0 alert
Brenk	0.0 alert
Leadlikeness	1.0
Synthetic Accessibility	1.39

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