N-[(Z)-3-(azepan-1-yl)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide

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

MolName	N-[(Z)-3-(azepan-1-yl)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
MolecularFormula	C22H23N3O4
Smiles	[O-][N+](c1cc(/C=C(/C(N2CCCCCC2)=O)\NC(c2ccccc2)=O)ccc1)=O
InChI	InChI=1S/C22H23N3O4/c26-21(18-10-4-3-5-11-18)23-20(22(27)24-13-6-1-2-7-14-24)16-17-9-8-12-19(15-17)25(28)29/h3-5,8-12,15-16H,1-2,6-7,13-14H2,(H,23,26)
InChIK	BIPSEZQQKRGRRD-UHFFFAOYSA-N
TotalMolweight	393.442
Molweight	393.442
MonoisotopicMass	393.168857
CLogP	3.535
CLogS	-4.69
H Acceptors	7
H Donors	1
TotalSurfaceArea	307.72
Relative PSA	0.23239
PolarSurfaceArea	95.23
Druglikeness	-3.9057
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	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	7
Symmetricatoms	5
Amides	2
AcidicOxygens	1
StereoCon

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