7-Chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic Acid

Cat. No.: PI100361180

Product Details Other Identifiers Computed Properties

CAS	100361-18-0
Purity	98%
Molecular Formula	C12H8ClFN2O3
Molecular Weight	282.65
Molar Refractivity	66.69

Pubchem ID	11055142
InChI Key	OXNZWNNMJBOZQO-UHFFFAOYSA-N
MDL Number	MFCD08458865

Hydrogen Bond Donor Count	1.0
Hydrogen Bond Acceptor Count	5.0
Rotatable Bond Count	2
Topological Polar Surface Area	72.19 Å²
Heavy Atom Count	19
Aromatic Heavy Atoms Number	10
Fraction Csp3	0.25
Log Po/w (iLOGP)	1.6
Log Po/w (XLOGP3)	3.43
Log Po/w (WLOGP)	2.58
Log Po/w (MLOGP)	1.77
Log Po/w (SILICOS-IT)	2.38
Consensus Log Po/w	2.35
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	No
CYP1A2Inhibitor	Yes
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-5.59 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	1.0 alert
Leadlikeness	0.0
Synthetic Accessibility	2.09

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