4-[(2E)-2-(2,3-dihydroinden-1-ylidene)hydrazinyl]benzenesulfonic acid
Formula:C15H14N2O3S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
4-[(2E)-2-(2,3-dihydroinden-1-ylidene)hydrazinyl]benzenesulfonic acid is a drug-like molecule.
| MolName | 4-[(2E)-2-(2,3-dihydroinden-1-ylidene)hydrazinyl]benzenesulfonic acid |
| MolecularFormula | C15H14N2O3S |
| Smiles | OS(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) |
| InChIK | JAVYGNRMYFQIRR-UHFFFAOYSA-N |
| TotalMolweight | 302.353 |
| Molweight | 302.353 |
| MonoisotopicMass | 302.072513 |
| CLogP | 2.9423 |
| CLogS | -2.434 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 216.4 |
| Relative PSA | 0.29875 |
| PolarSurfaceArea | 87.14 |
| Druglikeness | -0.6948 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| 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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