(E)-N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-3-(2-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-(2-nitrophenyl)prop-2-en-1-imine is a drug-like molecule.

MolName	(E)-N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-3-(2-nitrophenyl)prop-2-en-1-imine
MolecularFormula	C22H14N3O3Br
Smiles	[O-][N+](c1c(/C=C/C=N/c(cc2)cc3c2oc(-c(cccc2)c2Br)n3)cccc1)=O
InChI	InChI=1S/C22H14BrN3O3/c23-18-9-3-2-8-17(18)22-25-19-14-16(11-12-21(19)29-22)24-13-5-7-15-6-1-4-10-20(15)26(27)28/h1-14H
InChIK	DCSTYWSZBHDJLW-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	0.58621
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
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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