Cefonicid sodium

Cat. No.: PI61270788

Product Details Other Identifiers Computed Properties

CAS	61270-78-8
Synonyms	Sodium (6R,7R)-7-((R)-2-hydroxy-2-phenylacetamido)-8-oxo-3-(((1-(sulfonatomethyl)-1H-tetrazol-5-yl)thio)methyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Purity	832-970ug/mg
Molecular Formula	C18H16N6Na2O8S3
Molecular Weight	586.53
Molar Refractivity	121.13

Pubchem ID	43593
InChI Key	NAXFZVGOZUWLEP-RFXDPDBWSA-L

Hydrogen Bond Donor Count	2.0
Hydrogen Bond Acceptor Count	11.0
Rotatable Bond Count	10
Topological Polar Surface Area	269.55 Å²
Heavy Atom Count	37
Aromatic Heavy Atoms Number	11
Fraction Csp3	0.33
Log Po/w (iLOGP)	-25.74
Log Po/w (XLOGP3)	-0.58
Log Po/w (WLOGP)	-2.37
Log Po/w (MLOGP)	0.21
Log Po/w (SILICOS-IT)	-2.42
Consensus Log Po/w	-6.18
GI Absorption	Low
BBB Permeant	No
P-gp Substrate	Yes
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-10.29 cm/s
Lipinski	2.0
Ghose	None
Veber	1.0
Egan	1.0
Muegge	2.0
Bioavailability Score	0.17
PAINS	0.0 alert
Brenk	1.0 alert
Leadlikeness	2.0
Synthetic Accessibility	5.19

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