N-[(Z)-3-(2-hydroxyethylamino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide

Formula:C18H17N3O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-3-(2-hydroxyethylamino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide is a drug-like molecule.

MolName	N-[(Z)-3-(2-hydroxyethylamino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
MolecularFormula	C18H17N3O5
Smiles	[O-][N+](c1ccc(/C=C(/C(NCCO)=O)\NC(c2ccccc2)=O)cc1)=O
InChI	InChI=1S/C18H17N3O5/c22-11-10-19-18(24)16(20-17(23)14-4-2-1-3-5-14)12-13-6-8-15(9-7-13)21(25)26/h1-9,12,22H,10-11H2,(H,19,24)(H,20,23)
InChIK	WFXMISSFVSLGEC-UHFFFAOYSA-N
TotalMolweight	355.349
Molweight	355.349
MonoisotopicMass	355.116822
CLogP	1.2731
CLogS	-3.619
H Acceptors	8
H Donors	3
TotalSurfaceArea	273.69
Relative PSA	0.33805
PolarSurfaceArea	124.25
Druglikeness	-1.5971
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.53846
Fragments	1
Non HAtoms	26
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	4
Amides	2
AcidicOxygens	1
StereoCon

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