[(E)-2,3-dihydrochromen-4-ylideneamino] 3,4-dichlorobenzoate
Formula:C16H11NO3Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(E)-2,3-dihydrochromen-4-ylideneamino] 3,4-dichlorobenzoate is not a drug-like molecule.
| MolName | [(E)-2,3-dihydrochromen-4-ylideneamino] 3,4-dichlorobenzoate |
| MolecularFormula | C16H11NO3Cl2 |
| Smiles | O=C(c(cc1)cc(Cl)c1Cl)O/N=C1/c(cccc2)c2OCC1 |
| InChI | InChI=1S/C16H11Cl2NO3/c17-12-6-5-10(9-13(12)18)16(20)22-19-14-7-8-21-15-4-2-1-3-11(14)15/h1-6,9H,7-8H2 |
| InChIK | AYQREQLLXRMNMD-UHFFFAOYSA-N |
| TotalMolweight | 336.173 |
| Molweight | 336.173 |
| MonoisotopicMass | 335.011598 |
| CLogP | 5.2138 |
| CLogS | -5.737 |
| H Acceptors | 4 |
| TotalSurfaceArea | 238.6 |
| Relative PSA | 0.18671 |
| PolarSurfaceArea | 47.89 |
| Druglikeness | -2.6255 |
| Mutagenic | high |
| Tumorigenic | high |
| 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 | 4 |
| StereoCon |
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1 - [(E)-2,3-dihydrochromen-4-ylideneamino] 3,4-dichlorobenzoate | 2 - [(E)-2,3-dihydrochromen-4-ylideneamino] 3,4-dichlorobenzoate
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