N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-3-pyrrolidin-1-ylsulfonylbenzamide

Formula:C20H20N4O5S Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-3-pyrrolidin-1-ylsulfonylbenzamide is a drug-like molecule.

MolName	N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-3-pyrrolidin-1-ylsulfonylbenzamide
MolecularFormula	C20H20N4O5S
Smiles	[O-][N+](c1c(/C=C/C=N\NC(c2cccc(S(N3CCCC3)(=O)=O)c2)=O)cccc1)=O
InChI	InChI=1S/C20H20N4O5S/c25-20(22-21-12-6-9-16-7-1-2-11-19(16)24(26)27)17-8-5-10-18(15-17)30(28,29)23-13-3-4-14-23/h1-2,5-12,15H,3-4,13-14H2,(H,22,25)
InChIK	QUSKQHWRTDHBDI-UHFFFAOYSA-N
TotalMolweight	428.468
Molweight	428.468
MonoisotopicMass	428.115441
CLogP	2.1631
CLogS	-4.298
H Acceptors	9
H Donors	1
TotalSurfaceArea	317.58
Relative PSA	0.31035
PolarSurfaceArea	133.04
Druglikeness	-6.0418
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.56667
Fragments	1
Non HAtoms	30
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Symmetricatoms	3
Amides	1
AcidicOxygens	1
StereoCon

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