[(E)-2,3-dihydroinden-1-ylideneamino] 4-chlorobenzenesulfonate
Formula:C15H12NO3ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-2,3-dihydroinden-1-ylideneamino] 4-chlorobenzenesulfonate is not a drug-like molecule.
| MolName | [(E)-2,3-dihydroinden-1-ylideneamino] 4-chlorobenzenesulfonate |
| MolecularFormula | C15H12NO3ClS |
| Smiles | O=S(c(cc1)ccc1Cl)(O/N=C(\CC1)/c2c1cccc2)=O |
| InChI | InChI=1S/C15H12ClNO3S/c16-12-6-8-13(9-7-12)21(18,19)20-17-15-10-5-11-3-1-2-4-14(11)15/h1-4,6-9H,5,10H2 |
| InChIK | JSHAYHWDRYMJBM-UHFFFAOYSA-N |
| TotalMolweight | 321.783 |
| Molweight | 321.783 |
| MonoisotopicMass | 321.022641 |
| CLogP | 5.0793 |
| CLogS | -4.259 |
| H Acceptors | 4 |
| TotalSurfaceArea | 224.01 |
| Relative PSA | 0.22361 |
| PolarSurfaceArea | 64.11 |
| Druglikeness | -0.0086764 |
| 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 |
| StereoCon |
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1 - [(E)-2,3-dihydroinden-1-ylideneamino] 4-chlorobenzenesulfonate | 2 - [(E)-2,3-dihydroinden-1-ylideneamino] 4-chlorobenzenesulfonate
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