4-[(2Z)-2-(1H-isothiochromen-4-ylidene)hydrazinyl]-3-nitrobenzenesulfonamide
Formula:C15H14N4O4S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(2Z)-2-(1H-isothiochromen-4-ylidene)hydrazinyl]-3-nitrobenzenesulfonamide is a drug-like molecule.
| MolName | 4-[(2Z)-2-(1H-isothiochromen-4-ylidene)hydrazinyl]-3-nitrobenzenesulfonamide |
| MolecularFormula | C15H14N4O4S2 |
| Smiles | NS(c(cc1)cc([N+]([O-])=O)c1N/N=C(\CSC1)/c2c1cccc2)(=O)=O |
| InChI | InChI=1S/C15H14N4O4S2/c16-25(22,23)11-5-6-13(15(7-11)19(20)21)17-18-14-9-24-8-10-3-1-2-4-12(10)14/h1-7,17H,8-9H2,(H2,16,22,23) |
| InChIK | QXKJNEINGGCRRT-UHFFFAOYSA-N |
| TotalMolweight | 378.432 |
| Molweight | 378.432 |
| MonoisotopicMass | 378.045646 |
| CLogP | 2.9807 |
| CLogS | -4.738 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 259.73 |
| Relative PSA | 0.44173 |
| PolarSurfaceArea | 164.05 |
| Druglikeness | -5.0827 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 1 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 4-[(2Z)-2-(1H-isothiochromen-4-ylidene)hydrazinyl]-3-nitrobenzenesulfonamide | 2 - 4-[(2Z)-2-(1H-isothiochromen-4-ylidene)hydrazinyl]-3-nitrobenzenesulfonamide
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