2-bromo-N-[(E)-3-(4-nitroanilino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide

Formula:C22H16N3O4Br Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-bromo-N-[(E)-3-(4-nitroanilino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide is a drug-like molecule.

MolName	2-bromo-N-[(E)-3-(4-nitroanilino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide
MolecularFormula	C22H16N3O4Br
Smiles	[O-][N+](c(cc1)ccc1NC(/C(/NC(c(cccc1)c1Br)=O)=C\c1ccccc1)=O)=O
InChI	InChI=1S/C22H16BrN3O4/c23-19-9-5-4-8-18(19)21(27)25-20(14-15-6-2-1-3-7-15)22(28)24-16-10-12-17(13-11-16)26(29)30/h1-14H,(H,24,28)(H,25,27)
InChIK	CZEMPDPFZGDKBG-UHFFFAOYSA-N
TotalMolweight	466.29
Molweight	466.29
MonoisotopicMass	465.032418
CLogP	4.2274
CLogS	-6.167
H Acceptors	7
H Donors	2
TotalSurfaceArea	318.21
Relative PSA	0.24958
PolarSurfaceArea	104.02
Druglikeness	-3.9078
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.5
Fragments	1
Non HAtoms	30
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	1
Symmetricatoms	4
Amides	2
AcidicOxygens	1
StereoCon

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