[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino] 4-chlorobenzenesulfonate
Formula:C16H14NO3ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino] 4-chlorobenzenesulfonate is not a drug-like molecule.
| MolName | [(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino] 4-chlorobenzenesulfonate |
| MolecularFormula | C16H14NO3ClS |
| Smiles | O=S(c(cc1)ccc1Cl)(O/N=C(\CCC1)/c2c1cccc2)=O |
| InChI | InChI=1S/C16H14ClNO3S/c17-13-8-10-14(11-9-13)22(19,20)21-18-16-7-3-5-12-4-1-2-6-15(12)16/h1-2,4,6,8-11H,3,5,7H2 |
| InChIK | CQDVKBWDSVCDFL-UHFFFAOYSA-N |
| TotalMolweight | 335.81 |
| Molweight | 335.81 |
| MonoisotopicMass | 335.038291 |
| CLogP | 5.4213 |
| CLogS | -4.529 |
| H Acceptors | 4 |
| TotalSurfaceArea | 237.77 |
| Relative PSA | 0.21067 |
| PolarSurfaceArea | 64.11 |
| Druglikeness | -1.8887 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 3 |
| StereoCon |
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1 - [(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino] 4-chlorobenzenesulfonate | 2 - [(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino] 4-chlorobenzenesulfonate
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