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

Formula:C16H7NO2Cl4 Mutagenic:none Tumorigenic:high Reproductive Effective:high (4E)-2-(2,5-dichlorophenyl)-4-[(3,4-dichlorophenyl)methylidene]-1,3-oxazol-5-one is not a drug-like molecule.

MolName	(4E)-2-(2,5-dichlorophenyl)-4-[(3,4-dichlorophenyl)methylidene]-1,3-oxazol-5-one
MolecularFormula	C16H7NO2Cl4
Smiles	O=C1OC(c(cc(cc2)Cl)c2Cl)=N/C1=C/c(cc1)cc(Cl)c1Cl
InChI	InChI=1S/C16H7Cl4NO2/c17-9-2-4-11(18)10(7-9)15-21-14(16(22)23-15)6-8-1-3-12(19)13(20)5-8/h1-7H
InChIK	UBYHDDQOCJQIBO-UHFFFAOYSA-N
TotalMolweight	387.049
Molweight	387.049
MonoisotopicMass	384.923087
CLogP	5.0158
CLogS	-6.863
H Acceptors	3
TotalSurfaceArea	256.63
Relative PSA	0.13463
PolarSurfaceArea	38.66
Druglikeness	0.9311
Mutagenic	none
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.56522
Fragments	1
Non HAtoms	23
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	2
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
StereoCon

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