Gatifloxacin Sesquihydrate

Name: Gatifloxacin Sesquihydrate
SKU: PI180200662
Rating: 5 (1 reviews)

Cat. No.: PI180200662

Product Details Other Identifiers Computed Properties

CAS	180200-66-2
Synonyms	1-Cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid sesquihydrate
Purity	95%
Molecular Formula	C38H50F2N6O11
Molecular Weight	804.83
Molar Refractivity	222.23

Pubchem ID	5282384
InChI Key	RMJMZKDEVNTXHE-UHFFFAOYSA-N
MDL Number	MFCD22373645

Hydrogen Bond Donor Count	7.0
Hydrogen Bond Acceptor Count	15.0
Rotatable Bond Count	8
Topological Polar Surface Area	195.29 Å²
Heavy Atom Count	57
Aromatic Heavy Atoms Number	20
Fraction Csp3	0.47
Log Po/w (iLOGP)	4.9
Log Po/w (XLOGP3)	-0.96
Log Po/w (WLOGP)	2.96
Log Po/w (MLOGP)	-1.44
Log Po/w (SILICOS-IT)	2.04
Consensus Log Po/w	1.5
GI Absorption	Low
BBB Permeant	No
P-gp Substrate	No
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-11.89 cm/s
Lipinski	3.0
Ghose	None
Veber	1.0
Egan	1.0
Muegge	5.0
Bioavailability Score	0.17
PAINS	0.0 alert
Brenk	0.0 alert
Leadlikeness	2.0
Synthetic Accessibility	6.08

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