4-[2-[(1Z)-3-amino-2,4,4-tricyanobuta-1,3-dienyl]pyrrol-1-yl]benzenesulfonamide

Formula:C17H12N6O2S Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[2-[(1Z)-3-amino-2,4,4-tricyanobuta-1,3-dienyl]pyrrol-1-yl]benzenesulfonamide is a drug-like molecule.

MolName	4-[2-[(1Z)-3-amino-2,4,4-tricyanobuta-1,3-dienyl]pyrrol-1-yl]benzenesulfonamide
MolecularFormula	C17H12N6O2S
Smiles	NC(/C(/C#N)=C/c1cccn1-c(cc1)ccc1S(N)(=O)=O)=C(C#N)C#N
InChI	InChI=1S/C17H12N6O2S/c18-9-12(17(21)13(10-19)11-20)8-15-2-1-7-23(15)14-3-5-16(6-4-14)26(22,24)25/h1-8H,21H2,(H2,22,24,25)
InChIK	VGRTUHIMEMGACH-UHFFFAOYSA-N
TotalMolweight	364.388
Molweight	364.388
MonoisotopicMass	364.074244
CLogP	0.7948
CLogS	-5.771
H Acceptors	8
H Donors	2
TotalSurfaceArea	280.6
Relative PSA	0.38015
PolarSurfaceArea	170.86
Druglikeness	-5.2473
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB; 1,1-dinitrile
Shape Index	0.53846
Fragments	1
Non HAtoms	26
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	1
Symmetricatoms	5
Amides	1
Aromatic Nitrogens	1
BasicNitrogens	1
StereoCon

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