4-[(2Z)-2-(6-bicyclo[3.2.0]hept-3-enylidene)hydrazinyl]-3-nitro-N-phenylbenzenesulfonamide
Formula:C19H18N4O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(2Z)-2-(6-bicyclo[3.2.0]hept-3-enylidene)hydrazinyl]-3-nitro-N-phenylbenzenesulfonamide is a drug-like molecule.
| MolName | 4-[(2Z)-2-(6-bicyclo[3.2.0]hept-3-enylidene)hydrazinyl]-3-nitro-N-phenylbenzenesulfonamide |
| MolecularFormula | C19H18N4O4S |
| Smiles | [O-][N+](c(cc(cc1)S(Nc2ccccc2)(=O)=O)c1N/N=C1\C2C=CCC2C1)=O |
| InChI | InChI=1S/C19H18N4O4S/c24-23(25)19-12-15(28(26,27)22-14-6-2-1-3-7-14)9-10-17(19)20-21-18-11-13-5-4-8-16(13)18/h1-4,6-10,12-13,16,20,22H,5,11H2 |
| InChIK | KLANTZAZLUKKIA-UHFFFAOYSA-N |
| TotalMolweight | 398.442 |
| Molweight | 398.442 |
| MonoisotopicMass | 398.104876 |
| CLogP | 3.5971 |
| CLogS | -4.712 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 283.18 |
| Relative PSA | 0.32993 |
| PolarSurfaceArea | 124.76 |
| Druglikeness | -6.038 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 2 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 5 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 3 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - 4-[(2Z)-2-(6-bicyclo[3.2.0]hept-3-enylidene)hydrazinyl]-3-nitro-N-phenylbenzenesulfonamide | 2 - 4-[(2Z)-2-(6-bicyclo[3.2.0]hept-3-enylidene)hydrazinyl]-3-nitro-N-phenylbenzenesulfonamide
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