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

Formula:C22H14N3O3Br Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-3-(4-nitrophenyl)prop-2-en-1-imine is a drug-like molecule.

MolName	(E)-N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-3-(4-nitrophenyl)prop-2-en-1-imine
MolecularFormula	C22H14N3O3Br
Smiles	[O-][N+](c1ccc(/C=C/C=N/c(cc2)cc3c2oc(-c(cccc2)c2Br)n3)cc1)=O
InChI	InChI=1S/C22H14BrN3O3/c23-19-6-2-1-5-18(19)22-25-20-14-16(9-12-21(20)29-22)24-13-3-4-15-7-10-17(11-8-15)26(27)28/h1-14H
InChIK	KJUFOAQBWVFGPE-UHFFFAOYSA-N
TotalMolweight	448.275
Molweight	448.275
MonoisotopicMass	447.021853
CLogP	4.5101
CLogS	-7.734
H Acceptors	6
TotalSurfaceArea	309.39
Relative PSA	0.21659
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	0.65517
Fragments	1
Non HAtoms	29
NonCHAtoms	7
Electronegative Atoms	7
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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