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