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

Formula:C23H13NO4Cl2 Mutagenic:high Tumorigenic:none Reproductive Effective:high [4-[(Z)-[3-(4-chlorophenyl)-5-oxo-1,2-oxazol-4-ylidene]methyl]phenyl] 4-chlorobenzoate is not a drug-like molecule.

MolName	[4-[(Z)-[3-(4-chlorophenyl)-5-oxo-1,2-oxazol-4-ylidene]methyl]phenyl] 4-chlorobenzoate
MolecularFormula	C23H13NO4Cl2
Smiles	O=C(c(cc1)ccc1Cl)Oc1ccc(/C=C(/C(c(cc2)ccc2Cl)=NO2)\C2=O)cc1
InChI	InChI=1S/C23H13Cl2NO4/c24-17-7-3-15(4-8-17)21-20(23(28)30-26-21)13-14-1-11-19(12-2-14)29-22(27)16-5-9-18(25)10-6-16/h1-13H
InChIK	AZNOABHQADOCLH-UHFFFAOYSA-N
TotalMolweight	438.265
Molweight	438.265
MonoisotopicMass	437.022163
CLogP	6.4332
CLogS	-7.113
H Acceptors	5
TotalSurfaceArea	313.3
Relative PSA	0.18382
PolarSurfaceArea	64.96
Druglikeness	-1.1752
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.63333
Fragments	1
Non HAtoms	30
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	6
StereoCon

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