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

Formula:C22H13N3O3Br2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(4-bromo-3-nitrophenyl)-N-[2-(4-bromophenyl)-1,3-benzoxazol-5-yl]prop-2-en-1-imine is not a drug-like molecule.

MolName	(E)-3-(4-bromo-3-nitrophenyl)-N-[2-(4-bromophenyl)-1,3-benzoxazol-5-yl]prop-2-en-1-imine
MolecularFormula	C22H13N3O3Br2
Smiles	[O-][N+](c(cc(/C=C/C=N/c(cc1)cc2c1oc(-c(cc1)ccc1Br)n2)cc1)c1Br)=O
InChI	InChI=1S/C22H13Br2N3O3/c23-16-6-4-15(5-7-16)22-26-19-13-17(8-10-21(19)30-22)25-11-1-2-14-3-9-18(24)20(12-14)27(28)29/h1-13H
InChIK	WJUUDDSAQZCDKY-UHFFFAOYSA-N
TotalMolweight	527.171
Molweight	527.171
MonoisotopicMass	524.932364
CLogP	5.2353
CLogS	-8.568
H Acceptors	6
TotalSurfaceArea	328.02
Relative PSA	0.20429
PolarSurfaceArea	84.21
Druglikeness	-6.8955
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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