(E)-2-cyano-3-[5-(4-sulfamoylphenyl)furan-2-yl]prop-2-enethioamide
Molecular Formula : C14H11N3O3S2 | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |(E)-2-cyano-3-[5-(4-sulfamoylphenyl)furan-2-yl]prop-2-enethioamide is a drug-like molecule.
MolName : (E)-2-cyano-3-[5-(4-sulfamoylphenyl)furan-2-yl]prop-2-enethioamide |
MolecularFormula : C14H11N3O3S2 |
Smiles : NC(/C(/C#N)=C/c1ccc(-c(cc2)ccc2S(N)(=O)=O)o1)=S |
InChI : InChI=1S/C14H11N3O3S2/c15-8-10(14(16)21)7-11-3-6-13(20-11)9-1-4-12(5-2-9)22(17,18)19/h1-7H,(H2,16,21)(H2,17,18,19) |
InChIK : LPTDKZFNDFNCOR-UHFFFAOYSA-N |
TotalMolweight : 333.391 |
Molweight : 333.391 |
MonoisotopicMass : 333.024182 |
CLogP : 1.104 |
CLogS : -4.643 |
H Acceptors : 6 |
H Donors : 2 |
TotalSurfaceArea : 247.46 |
Relative PSA : 0.46387 |
PolarSurfaceArea : 163.58 |
Druglikeness : -1.4363 |
Mutagenic : high |
Tumorigenic : high |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : twice activated DB; thio-amide/urea |
Shape Index : 0.59091 |
Fragments : 1 |
Non HAtoms : 22 |
NonCHAtoms : 8 |
Electronegative Atoms : 8 |
Rotatable Bond : 4 |
Rings Closures : 2 |
Small Rings : 2 |
Aromatic Rings : 2 |
Aromatic Atoms : 11 |
Sp3Atoms : 2 |
Symmetricatoms : 3 |
Amides : 1 |
StereoCon : |