(E)-3-(4-chlorophenyl)-N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]prop-2-en-1-imine

Formula:C22H13N2OCl3 Mutagenic:none Tumorigenic:high Reproductive Effective:high (E)-3-(4-chlorophenyl)-N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]prop-2-en-1-imine is not a drug-like molecule.

MolName	(E)-3-(4-chlorophenyl)-N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]prop-2-en-1-imine
MolecularFormula	C22H13N2OCl3
Smiles	Clc1ccc(/C=C/C=N/c(cc2)cc3c2oc(-c(cc(cc2)Cl)c2Cl)n3)cc1
InChI	InChI=1S/C22H13Cl3N2O/c23-15-5-3-14(4-6-15)2-1-11-26-17-8-10-21-20(13-17)27-22(28-21)18-12-16(24)7-9-19(18)25/h1-13H
InChIK	PSOZKQIGMSJVFV-UHFFFAOYSA-N
TotalMolweight	427.717
Molweight	427.717
MonoisotopicMass	426.009344
CLogP	6.5245
CLogS	-8.648
H Acceptors	3
TotalSurfaceArea	313.35
Relative PSA	0.11677
PolarSurfaceArea	38.39
Druglikeness	0.1
Mutagenic	none
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.64286
Fragments	1
Non HAtoms	28
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

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