N-[(Z)-2,3-dihydroinden-1-ylideneamino]-3-nitrobenzenesulfonamide
Formula:C15H13N3O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-2,3-dihydroinden-1-ylideneamino]-3-nitrobenzenesulfonamide is a drug-like molecule.
| MolName | N-[(Z)-2,3-dihydroinden-1-ylideneamino]-3-nitrobenzenesulfonamide |
| MolecularFormula | C15H13N3O4S |
| Smiles | [O-][N+](c1cccc(S(N/N=C(/CC2)\c3c2cccc3)(=O)=O)c1)=O |
| InChI | InChI=1S/C15H13N3O4S/c19-18(20)12-5-3-6-13(10-12)23(21,22)17-16-15-9-8-11-4-1-2-7-14(11)15/h1-7,10,17H,8-9H2 |
| InChIK | POOBOAJJJMBGKY-UHFFFAOYSA-N |
| TotalMolweight | 331.351 |
| Molweight | 331.351 |
| MonoisotopicMass | 331.062677 |
| CLogP | 1.6862 |
| CLogS | -3.055 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 233.72 |
| Relative PSA | 0.35072 |
| PolarSurfaceArea | 112.73 |
| Druglikeness | -8.2119 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(Z)-2,3-dihydroinden-1-ylideneamino]-3-nitrobenzenesulfonamide | 2 - N-[(Z)-2,3-dihydroinden-1-ylideneamino]-3-nitrobenzenesulfonamide
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