4-[(2Z)-2-(2,3-dihydroinden-1-ylidene)hydrazinyl]-3-nitrobenzenesulfonamide
Formula:C15H14N4O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(2Z)-2-(2,3-dihydroinden-1-ylidene)hydrazinyl]-3-nitrobenzenesulfonamide is a drug-like molecule.
| MolName | 4-[(2Z)-2-(2,3-dihydroinden-1-ylidene)hydrazinyl]-3-nitrobenzenesulfonamide |
| MolecularFormula | C15H14N4O4S |
| Smiles | NS(c(cc1)cc([N+]([O-])=O)c1N/N=C(/CC1)\c2c1cccc2)(=O)=O |
| InChI | InChI=1S/C15H14N4O4S/c16-24(22,23)11-6-8-14(15(9-11)19(20)21)18-17-13-7-5-10-3-1-2-4-12(10)13/h1-4,6,8-9,18H,5,7H2,(H2,16,22,23) |
| InChIK | VOODBCZQCBJZGN-UHFFFAOYSA-N |
| TotalMolweight | 346.366 |
| Molweight | 346.366 |
| MonoisotopicMass | 346.073576 |
| CLogP | 3.014 |
| CLogS | -4.187 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 242.24 |
| Relative PSA | 0.40142 |
| PolarSurfaceArea | 138.75 |
| Druglikeness | -5.9775 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 1 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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