(E)-3-(3-nitrophenyl)-N-(2-phenyl-1,3-benzoxazol-5-yl)prop-2-en-1-imine

Formula:C22H15N3O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(3-nitrophenyl)-N-(2-phenyl-1,3-benzoxazol-5-yl)prop-2-en-1-imine is a drug-like molecule.

MolName	(E)-3-(3-nitrophenyl)-N-(2-phenyl-1,3-benzoxazol-5-yl)prop-2-en-1-imine
MolecularFormula	C22H15N3O3
Smiles	[O-][N+](c1cc(/C=C/C=N/c(cc2)cc3c2oc(-c2ccccc2)n3)ccc1)=O
InChI	InChI=1S/C22H15N3O3/c26-25(27)19-10-4-6-16(14-19)7-5-13-23-18-11-12-21-20(15-18)24-22(28-21)17-8-2-1-3-9-17/h1-15H
InChIK	CGHQRUNLTCZDOC-UHFFFAOYSA-N
TotalMolweight	369.379
Molweight	369.379
MonoisotopicMass	369.111342
CLogP	3.7849
CLogS	-6.9
H Acceptors	6
TotalSurfaceArea	290.76
Relative PSA	0.23046
PolarSurfaceArea	84.21
Druglikeness	-5.1055
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.64286
Fragments	1
Non HAtoms	28
NonCHAtoms	6
Electronegative Atoms	6
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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