3-nitro-4-[2-[(E)-3-thiophen-2-ylprop-2-enoyl]hydrazinyl]benzenesulfonamide

Formula:C13H12N4O5S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-nitro-4-[2-[(E)-3-thiophen-2-ylprop-2-enoyl]hydrazinyl]benzenesulfonamide is a drug-like molecule.

MolName	3-nitro-4-[2-[(E)-3-thiophen-2-ylprop-2-enoyl]hydrazinyl]benzenesulfonamide
MolecularFormula	C13H12N4O5S2
Smiles	NS(c(cc1)cc([N+]([O-])=O)c1NNC(/C=C/c1cccs1)=O)(=O)=O
InChI	InChI=1S/C13H12N4O5S2/c14-24(21,22)10-4-5-11(12(8-10)17(19)20)15-16-13(18)6-3-9-2-1-7-23-9/h1-8,15H,(H,16,18)(H2,14,21,22)
InChIK	XFSVGBUBDYGKOE-UHFFFAOYSA-N
TotalMolweight	368.393
Molweight	368.393
MonoisotopicMass	368.024911
CLogP	1.2951
CLogS	-3.477
H Acceptors	9
H Donors	3
TotalSurfaceArea	256.9
Relative PSA	0.50833
PolarSurfaceArea	183.73
Druglikeness	-4.0543
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.58333
Fragments	1
Non HAtoms	24
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	2
Symmetricatoms	1
Amides	1
AcidicOxygens	1
StereoCon

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