(E)-2-cyano-N-(4-nitrophenyl)-3-[5-(4-sulfamoylphenyl)furan-2-yl]prop-2-enamide
Molecular Formula : C20H14N4O6S | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |(E)-2-cyano-N-(4-nitrophenyl)-3-[5-(4-sulfamoylphenyl)furan-2-yl]prop-2-enamide is a drug-like molecule.
MolName : (E)-2-cyano-N-(4-nitrophenyl)-3-[5-(4-sulfamoylphenyl)furan-2-yl]prop-2-enamide |
MolecularFormula : C20H14N4O6S |
Smiles : NS(c(cc1)ccc1-c1ccc(/C=C(/C(Nc(cc2)ccc2[N+]([O-])=O)=O)\C#N)o1)(=O)=O |
InChI : InChI=1S/C20H14N4O6S/c21-12-14(20(25)23-15-3-5-16(6-4-15)24(26)27)11-17-7-10-19(30-17)13-1-8-18(9-2-13)31(22,28)29/h1-11H,(H,23,25)(H2,22,28,29) |
InChIK : DSGXYILBKLRASE-UHFFFAOYSA-N |
TotalMolweight : 438.419 |
Molweight : 438.419 |
MonoisotopicMass : 438.063406 |
CLogP : 1.7696 |
CLogS : -5.589 |
H Acceptors : 10 |
H Donors : 2 |
TotalSurfaceArea : 318.87 |
Relative PSA : 0.39653 |
PolarSurfaceArea : 180.39 |
Druglikeness : -13.972 |
Mutagenic : high |
Tumorigenic : high |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : twice activated DB; aromatic nitro |
Shape Index : 0.6129 |
Fragments : 1 |
Non HAtoms : 31 |
NonCHAtoms : 11 |
Electronegative Atoms : 11 |
Rotatable Bond : 6 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 3 |
Aromatic Atoms : 17 |
Sp3Atoms : 2 |
Symmetricatoms : 5 |
Amides : 2 |
AcidicOxygens : 1 |
StereoCon : |