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

Formula:C22H13N3O3Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N-[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]-3-(4-nitrophenyl)prop-2-en-1-imine is a drug-like molecule.

MolName	(E)-N-[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]-3-(4-nitrophenyl)prop-2-en-1-imine
MolecularFormula	C22H13N3O3Cl2
Smiles	[O-][N+](c1ccc(/C=C/C=N/c(cc2)cc3c2oc(-c2cccc(Cl)c2Cl)n3)cc1)=O
InChI	InChI=1S/C22H13Cl2N3O3/c23-18-5-1-4-17(21(18)24)22-26-19-13-15(8-11-20(19)30-22)25-12-2-3-14-6-9-16(10-7-14)27(28)29/h1-13H
InChIK	STGFLQQPRKQMFK-UHFFFAOYSA-N
TotalMolweight	438.269
Molweight	438.269
MonoisotopicMass	437.033396
CLogP	4.9969
CLogS	-8.372
H Acceptors	6
TotalSurfaceArea	321.6
Relative PSA	0.20836
PolarSurfaceArea	84.21
Druglikeness	-4.9976
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.63333
Fragments	1
Non HAtoms	30
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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