(4E)-2-(4-chlorophenyl)-4-[(2,3-dichlorophenyl)methylidene]-1,3-oxazol-5-one

Formula:C16H8NO2Cl3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (4E)-2-(4-chlorophenyl)-4-[(2,3-dichlorophenyl)methylidene]-1,3-oxazol-5-one is a drug-like molecule.

MolName	(4E)-2-(4-chlorophenyl)-4-[(2,3-dichlorophenyl)methylidene]-1,3-oxazol-5-one
MolecularFormula	C16H8NO2Cl3
Smiles	O=C1OC(c(cc2)ccc2Cl)=N/C1=C/c1cccc(Cl)c1Cl
InChI	InChI=1S/C16H8Cl3NO2/c17-11-6-4-9(5-7-11)15-20-13(16(21)22-15)8-10-2-1-3-12(18)14(10)19/h1-8H
InChIK	QLAVPPAAMPQEQC-UHFFFAOYSA-N
TotalMolweight	352.604
Molweight	352.604
MonoisotopicMass	350.96206
CLogP	4.4098
CLogS	-6.127
H Acceptors	3
TotalSurfaceArea	241.21
Relative PSA	0.14324
PolarSurfaceArea	38.66
Druglikeness	0.9311
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.59091
Fragments	1
Non HAtoms	22
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	2
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	2
StereoCon

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