4-[5-[(1Z)-3-amino-2,4,4-tricyanobuta-1,3-dienyl]furan-2-yl]benzenesulfonamide

Formula:C17H11N5O3S Mutagenic:high Tumorigenic:high Reproductive Effective:none 4-[5-[(1Z)-3-amino-2,4,4-tricyanobuta-1,3-dienyl]furan-2-yl]benzenesulfonamide is a drug-like molecule.

MolName	4-[5-[(1Z)-3-amino-2,4,4-tricyanobuta-1,3-dienyl]furan-2-yl]benzenesulfonamide
MolecularFormula	C17H11N5O3S
Smiles	NC(/C(/C#N)=C/c1ccc(-c(cc2)ccc2S(N)(=O)=O)o1)=C(C#N)C#N
InChI	InChI=1S/C17H11N5O3S/c18-8-12(17(21)13(9-19)10-20)7-14-3-6-16(25-14)11-1-4-15(5-2-11)26(22,23)24/h1-7H,21H2,(H2,22,23,24)
InChIK	SBYMMBYPHRYXQY-UHFFFAOYSA-N
TotalMolweight	365.372
Molweight	365.372
MonoisotopicMass	365.05826
CLogP	1.4948
CLogS	-4.894
H Acceptors	8
H Donors	2
TotalSurfaceArea	281.09
Relative PSA	0.40524
PolarSurfaceArea	179.07
Druglikeness	-5.3891
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB; 1,1-dinitrile
Shape Index	0.57692
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
BasicNitrogens	1
StereoCon

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