N-[(E)-1-(3-nitrophenyl)-3-oxo-3-(oxolan-2-ylmethylamino)prop-1-en-2-yl]benzamide

Formula:C21H21N3O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(E)-1-(3-nitrophenyl)-3-oxo-3-(oxolan-2-ylmethylamino)prop-1-en-2-yl]benzamide is a drug-like molecule.

MolName	N-[(E)-1-(3-nitrophenyl)-3-oxo-3-(oxolan-2-ylmethylamino)prop-1-en-2-yl]benzamide
MolecularFormula	C21H21N3O5
Smiles	[O-][N+](c1cc(/C=C(\C(NCC2OCCC2)=O)/NC(c2ccccc2)=O)ccc1)=O
InChI	InChI=1S/C21H21N3O5/c25-20(16-7-2-1-3-8-16)23-19(21(26)22-14-18-10-5-11-29-18)13-15-6-4-9-17(12-15)24(27)28/h1-4,6-9,12-13,18H,5,10-11,14H2,(H,22,26)(H,23,25)/t18-/m1/s1
InChIK	RITDKIGDDBYZOR-GOSISDBHSA-N
TotalMolweight	395.414
Molweight	395.414
MonoisotopicMass	395.148122
CLogP	2.0933
CLogS	-4.511
H Acceptors	8
H Donors	2
TotalSurfaceArea	303.86
Relative PSA	0.29428
PolarSurfaceArea	113.25
Druglikeness	-2.7544
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.44828
Fragments	1
Non HAtoms	29
NonCHAtoms	8
Electronegative Atoms	8
StereoCenters	1
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	7
Symmetricatoms	2
Amides	2
AcidicOxygens	1
StereoCon	racemate

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