Enoxacin Sesquihydrate

Name: Enoxacin Sesquihydrate
SKU: PI84294962
Rating: 5 (1 reviews)

Cat. No.: PI84294962

Product Details Other Identifiers Computed Properties

CAS	84294-96-2
Synonyms	1-Ethyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid sesquihydrate
Purity	98%
Molecular Formula	C30H40F2N8O9
Molecular Weight	694.68
Molar Refractivity	189.84

Pubchem ID	24840537
InChI Key	DKNNITGJCMPHKE-UHFFFAOYSA-N
MDL Number	MFCD01747755

Hydrogen Bond Donor Count	7.0
Hydrogen Bond Acceptor Count	15.0
Rotatable Bond Count	6
Topological Polar Surface Area	202.61 Å²
Heavy Atom Count	49
Aromatic Heavy Atoms Number	20
Fraction Csp3	0.4
Log Po/w (iLOGP)	3.12
Log Po/w (XLOGP3)	-2.39
Log Po/w (WLOGP)	0.45
Log Po/w (MLOGP)	-1.26
Log Po/w (SILICOS-IT)	1.28
Consensus Log Po/w	0.24
GI Absorption	Low
BBB Permeant	No
P-gp Substrate	No
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-12.23 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	1.0
Synthetic Accessibility	4.54

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