4-nitro-N-[(Z)-[5-(4-sulfamoylphenyl)furan-2-yl]methylideneamino]benzamide
Molecular Formula : C18H14N4O6S | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |4-nitro-N-[(Z)-[5-(4-sulfamoylphenyl)furan-2-yl]methylideneamino]benzamide is a drug-like molecule.
MolName : 4-nitro-N-[(Z)-[5-(4-sulfamoylphenyl)furan-2-yl]methylideneamino]benzamide |
MolecularFormula : C18H14N4O6S |
Smiles : NS(c(cc1)ccc1-c1ccc(/C=N\NC(c(cc2)ccc2[N+]([O-])=O)=O)o1)(=O)=O |
InChI : InChI=1S/C18H14N4O6S/c19-29(26,27)16-8-3-12(4-9-16)17-10-7-15(28-17)11-20-21-18(23)13-1-5-14(6-2-13)22(24)25/h1-11H,(H,21,23)(H2,19,26,27) |
InChIK : AFHQGDKTNRIJDR-UHFFFAOYSA-N |
TotalMolweight : 414.397 |
Molweight : 414.397 |
MonoisotopicMass : 414.063406 |
CLogP : 1.9829 |
CLogS : -5.54 |
H Acceptors : 10 |
H Donors : 2 |
TotalSurfaceArea : 297.21 |
Relative PSA : 0.41853 |
PolarSurfaceArea : 168.96 |
Druglikeness : -4.3064 |
Mutagenic : high |
Tumorigenic : high |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
Shape Index : 0.65517 |
Fragments : 1 |
Non HAtoms : 29 |
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 : 1 |
AcidicOxygens : 1 |
StereoCon : |