4-[(2Z)-2-(2,3-dihydroinden-1-ylidene)hydrazinyl]benzenesulfonate
Formula:C15H13N2O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(2Z)-2-(2,3-dihydroinden-1-ylidene)hydrazinyl]benzenesulfonate is a drug-like molecule.
| MolName | 4-[(2Z)-2-(2,3-dihydroinden-1-ylidene)hydrazinyl]benzenesulfonate |
| MolecularFormula | C15H13N2O3S |
| Smiles | [O-]S(c(cc1)ccc1N/N=C(/CC1)\c2c1cccc2)(=O)=O |
| InChI | InChI=1S/C15H14N2O3S/c18-21(19,20)13-8-6-12(7-9-13)16-17-15-10-5-11-3-1-2-4-14(11)15/h1-4,6-9,16H,5,10H2,(H,18,19,20)/p-1 |
| InChIK | JAVYGNRMYFQIRR-UHFFFAOYSA-M |
| TotalMolweight | 301.345 |
| Molweight | 301.345 |
| MonoisotopicMass | 301.064688 |
| CLogP | 1.6947 |
| CLogS | -2.434 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 217.58 |
| Relative PSA | 0.30256 |
| PolarSurfaceArea | 89.97 |
| Druglikeness | -11.945 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 3 |
| AcidicOxygens | 1 |
| StereoCon |
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