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

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

MolName	[3-[(E)-[2-(4-chlorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl] 4-chlorobenzoate
MolecularFormula	C23H13NO4Cl2
Smiles	O=C(c(cc1)ccc1Cl)Oc1cccc(/C=C2/N=C(c(cc3)ccc3Cl)OC2=O)c1
InChI	InChI=1S/C23H13Cl2NO4/c24-17-8-4-15(5-9-17)21-26-20(23(28)30-21)13-14-2-1-3-19(12-14)29-22(27)16-6-10-18(25)11-7-16/h1-13H
InChIK	ZALIJQLIGUARTH-UHFFFAOYSA-N
TotalMolweight	438.265
Molweight	438.265
MonoisotopicMass	437.022163
CLogP	5.2343
CLogS	-6.861
H Acceptors	5
TotalSurfaceArea	313.3
Relative PSA	0.18382
PolarSurfaceArea	64.96
Druglikeness	0.9311
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
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	4
StereoCon

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