N-[(E)-3-(azepan-1-yl)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide

Formula:C20H21N3O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(E)-3-(azepan-1-yl)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide is a drug-like molecule.

MolName	N-[(E)-3-(azepan-1-yl)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
MolecularFormula	C20H21N3O5
Smiles	[O-][N+](c1cc(/C=C(\C(N2CCCCCC2)=O)/NC(c2ccco2)=O)ccc1)=O
InChI	InChI=1S/C20H21N3O5/c24-19(18-9-6-12-28-18)21-17(20(25)22-10-3-1-2-4-11-22)14-15-7-5-8-16(13-15)23(26)27/h5-9,12-14H,1-4,10-11H2,(H,21,24)
InChIK	QSAAPRWQBSKPJO-UHFFFAOYSA-N
TotalMolweight	383.403
Molweight	383.403
MonoisotopicMass	383.148122
CLogP	2.7237
CLogS	-4.372
H Acceptors	8
H Donors	1
TotalSurfaceArea	297.41
Relative PSA	0.28789
PolarSurfaceArea	108.37
Druglikeness	-4.0668
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.42857
Fragments	1
Non HAtoms	28
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	7
Symmetricatoms	3
Amides	2
AcidicOxygens	1
StereoCon

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