[4-[(E)-[2-(4-chlorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl] 3-nitrobenzoate

Formula:C23H13N2O6Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none [4-[(E)-[2-(4-chlorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl] 3-nitrobenzoate is a drug-like molecule.

MolName	[4-[(E)-[2-(4-chlorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl] 3-nitrobenzoate
MolecularFormula	C23H13N2O6Cl
Smiles	[O-][N+](c1cccc(C(Oc2ccc(/C=C3/N=C(c(cc4)ccc4Cl)OC3=O)cc2)=O)c1)=O
InChI	InChI=1S/C23H13ClN2O6/c24-17-8-6-15(7-9-17)21-25-20(23(28)32-21)12-14-4-10-19(11-5-14)31-22(27)16-2-1-3-18(13-16)26(29)30/h1-13H
InChIK	SEBHKVSQVHUSHV-UHFFFAOYSA-N
TotalMolweight	448.817
Molweight	448.817
MonoisotopicMass	448.046215
CLogP	3.7067
CLogS	-6.585
H Acceptors	8
TotalSurfaceArea	321.55
Relative PSA	0.27371
PolarSurfaceArea	110.78
Druglikeness	-4.0702
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.625
Fragments	1
Non HAtoms	32
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	3
Symmetricatoms	4
AcidicOxygens	1
StereoCon

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