Sarafloxacin HCl

Cat. No.: PI91296876

Product Details Other Identifiers Computed Properties

CAS	91296-87-6
Synonyms	6-Fluoro-1-(4-fluorophenyl)-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid hydrochloride
Purity	98%
Molecular Formula	C20H18ClF2N3O3
Molecular Weight	421.83
Molar Refractivity	114.74

Pubchem ID	56207
InChI Key	KNWODGJQLCISLC-UHFFFAOYSA-N
MDL Number	MFCD03427297

Hydrogen Bond Donor Count	2.0
Hydrogen Bond Acceptor Count	6.0
Rotatable Bond Count	3
Topological Polar Surface Area	74.57 Å²
Heavy Atom Count	29
Aromatic Heavy Atoms Number	16
Fraction Csp3	0.2
Log Po/w (iLOGP)	0.0
Log Po/w (XLOGP3)	1.22
Log Po/w (WLOGP)	3.26
Log Po/w (MLOGP)	2.61
Log Po/w (SILICOS-IT)	2.9
Consensus Log Po/w	2.0
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	Yes
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-8.01 cm/s
Lipinski	0.0
Ghose	None
Veber	0.0
Egan	0.0
Muegge	0.0
Bioavailability Score	0.55
PAINS	0.0 alert
Brenk	0.0 alert
Leadlikeness	1.0
Synthetic Accessibility	2.78

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