N-[2-[[(Z)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]amino]phenyl]-4-nitrobenzenesulfonamide

Formula:C21H16N3O5FS Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[2-[[(Z)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]amino]phenyl]-4-nitrobenzenesulfonamide is a drug-like molecule.

MolName	N-[2-[[(Z)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]amino]phenyl]-4-nitrobenzenesulfonamide
MolecularFormula	C21H16N3O5FS
Smiles	[O-][N+](c(cc1)ccc1S(Nc(cccc1)c1N/C=C\C(c(cc1)ccc1F)=O)(=O)=O)=O
InChI	InChI=1S/C21H16FN3O5S/c22-16-7-5-15(6-8-16)21(26)13-14-23-19-3-1-2-4-20(19)24-31(29,30)18-11-9-17(10-12-18)25(27)28/h1-14,23-24H
InChIK	DDGNIXGBZQEOSH-UHFFFAOYSA-N
TotalMolweight	441.438
Molweight	441.438
MonoisotopicMass	441.07947
CLogP	1.9528
CLogS	-5.893
H Acceptors	8
H Donors	2
TotalSurfaceArea	318.55
Relative PSA	0.2981
PolarSurfaceArea	129.47
Druglikeness	-5.2517
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.6129
Fragments	1
Non HAtoms	31
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	5
Amides	1
AcidicOxygens	1
StereoCon

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1 - N-[2-[[(Z)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]amino]phenyl]-4-nitrobenzenesulfonamide | 2 - N-[2-[[(Z)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]amino]phenyl]-4-nitrobenzenesulfonamide

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