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

Formula:C22H23N3O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(E)-3-(cyclohexylamino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide is a drug-like molecule.

MolName	N-[(E)-3-(cyclohexylamino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
MolecularFormula	C22H23N3O4
Smiles	[O-][N+](c1cc(/C=C(\C(NC2CCCCC2)=O)/NC(c2ccccc2)=O)ccc1)=O
InChI	InChI=1S/C22H23N3O4/c26-21(17-9-3-1-4-10-17)24-20(22(27)23-18-11-5-2-6-12-18)15-16-8-7-13-19(14-16)25(28)29/h1,3-4,7-10,13-15,18H,2,5-6,11-12H2,(H,23,27)(H,24,26)
InChIK	JZBQHOMGPIZNJN-UHFFFAOYSA-N
TotalMolweight	393.442
Molweight	393.442
MonoisotopicMass	393.168857
CLogP	3.3492
CLogS	-5.4
H Acceptors	7
H Donors	2
TotalSurfaceArea	307.62
Relative PSA	0.25818
PolarSurfaceArea	104.02
Druglikeness	-6.4642
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.44828
Fragments	1
Non HAtoms	29
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	7
Symmetricatoms	4
Amides	2
AcidicOxygens	1
StereoCon

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