[2-(3-nitroanilino)-2-oxoethyl] (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate

Formula:C23H25N3O7S Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-(3-nitroanilino)-2-oxoethyl] (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate is a drug-like molecule.

MolName	[2-(3-nitroanilino)-2-oxoethyl] (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate
MolecularFormula	C23H25N3O7S
Smiles	[O-][N+](c1cccc(NC(COC(/C=C/c(cc2)ccc2S(N2CCCCCC2)(=O)=O)=O)=O)c1)=O
InChI	InChI=1S/C23H25N3O7S/c27-22(24-19-6-5-7-20(16-19)26(29)30)17-33-23(28)13-10-18-8-11-21(12-9-18)34(31,32)25-14-3-1-2-4-15-25/h5-13,16H,1-4,14-15,17H2,(H,24,27)
InChIK	CDXQQWDHHWMLII-UHFFFAOYSA-N
TotalMolweight	487.532
Molweight	487.532
MonoisotopicMass	487.141322
CLogP	2.3214
CLogS	-4.226
H Acceptors	10
H Donors	1
TotalSurfaceArea	361.85
Relative PSA	0.30424
PolarSurfaceArea	146.98
Druglikeness	-6.3388
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.61765
Fragments	1
Non HAtoms	34
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	10
Symmetricatoms	6
Amides	2
AcidicOxygens	1
StereoCon

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