2-bromo-N-[(E)-3-(cyclohexylamino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide

Formula:C22H22N3O4Br Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-bromo-N-[(E)-3-(cyclohexylamino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide is a drug-like molecule.

MolName	2-bromo-N-[(E)-3-(cyclohexylamino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
MolecularFormula	C22H22N3O4Br
Smiles	[O-][N+](c1cccc(/C=C(\C(NC2CCCCC2)=O)/NC(c(cccc2)c2Br)=O)c1)=O
InChI	InChI=1S/C22H22BrN3O4/c23-19-12-5-4-11-18(19)21(27)25-20(22(28)24-16-8-2-1-3-9-16)14-15-7-6-10-17(13-15)26(29)30/h4-7,10-14,16H,1-3,8-9H2,(H,24,28)(H,25,27)
InChIK	LUVIZZKCLOBBLQ-UHFFFAOYSA-N
TotalMolweight	472.338
Molweight	472.338
MonoisotopicMass	471.079368
CLogP	4.0744
CLogS	-6.234
H Acceptors	7
H Donors	2
TotalSurfaceArea	326.25
Relative PSA	0.24343
PolarSurfaceArea	104.02
Druglikeness	-8.2542
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.43333
Fragments	1
Non HAtoms	30
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	7
Symmetricatoms	2
Amides	2
AcidicOxygens	1
StereoCon

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