N'-[(E)-3-(3-nitrophenyl)prop-2-enoyl]-4-pyrrolidin-1-ylsulfonylbenzohydrazide

Formula:C20H20N4O6S Mutagenic:none Tumorigenic:none Reproductive Effective:none N'-[(E)-3-(3-nitrophenyl)prop-2-enoyl]-4-pyrrolidin-1-ylsulfonylbenzohydrazide is a drug-like molecule.

MolName	N'-[(E)-3-(3-nitrophenyl)prop-2-enoyl]-4-pyrrolidin-1-ylsulfonylbenzohydrazide
MolecularFormula	C20H20N4O6S
Smiles	[O-][N+](c1cccc(/C=C/C(NNC(c(cc2)ccc2S(N2CCCC2)(=O)=O)=O)=O)c1)=O
InChI	InChI=1S/C20H20N4O6S/c25-19(11-6-15-4-3-5-17(14-15)24(27)28)21-22-20(26)16-7-9-18(10-8-16)31(29,30)23-12-1-2-13-23/h3-11,14H,1-2,12-13H2,(H,21,25)(H,22,26)
InChIK	IELSRRKMYFUFIN-UHFFFAOYSA-N
TotalMolweight	444.467
Molweight	444.467
MonoisotopicMass	444.110356
CLogP	0.89
CLogS	-3.965
H Acceptors	10
H Donors	2
TotalSurfaceArea	322.03
Relative PSA	0.3464
PolarSurfaceArea	149.78
Druglikeness	-1.9693
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.6129
Fragments	1
Non HAtoms	31
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Symmetricatoms	5
Amides	1
AcidicOxygens	1
StereoCon

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