(4Z)-2-(2,4-dichlorophenyl)-4-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one

Formula:C18H11NO2Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (4Z)-2-(2,4-dichlorophenyl)-4-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one is a drug-like molecule.

MolName	(4Z)-2-(2,4-dichlorophenyl)-4-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one
MolecularFormula	C18H11NO2Cl2
Smiles	O=C1OC(c(ccc(Cl)c2)c2Cl)=N/C1=C\C=C\c1ccccc1
InChI	InChI=1S/C18H11Cl2NO2/c19-13-9-10-14(15(20)11-13)17-21-16(18(22)23-17)8-4-7-12-5-2-1-3-6-12/h1-11H
InChIK	SSBHJLUOTOYAJD-UHFFFAOYSA-N
TotalMolweight	344.196
Molweight	344.196
MonoisotopicMass	343.016683
CLogP	4.4604
CLogS	-5.703
H Acceptors	3
TotalSurfaceArea	252.29
Relative PSA	0.13695
PolarSurfaceArea	38.66
Druglikeness	1.2263
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.65217
Fragments	1
Non HAtoms	23
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	2
StereoCon

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