[(E)-[1-amino-2-(2,4-dichlorophenyl)ethylidene]amino] naphthalene-1-carboxylate
Formula:C19H14N2O2Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(E)-[1-amino-2-(2,4-dichlorophenyl)ethylidene]amino] naphthalene-1-carboxylate is not a drug-like molecule.
| MolName | [(E)-[1-amino-2-(2,4-dichlorophenyl)ethylidene]amino] naphthalene-1-carboxylate |
| MolecularFormula | C19H14N2O2Cl2 |
| Smiles | N/C(/Cc(ccc(Cl)c1)c1Cl)=N/OC(c1cccc2ccccc12)=O |
| InChI | InChI=1S/C19H14Cl2N2O2/c20-14-9-8-13(17(21)11-14)10-18(22)23-25-19(24)16-7-3-5-12-4-1-2-6-15(12)16/h1-9,11H,10H2,(H2,22,23) |
| InChIK | IVKMXZMFDPLZRJ-UHFFFAOYSA-N |
| TotalMolweight | 373.238 |
| Molweight | 373.238 |
| MonoisotopicMass | 372.043232 |
| CLogP | 5.4766 |
| CLogS | -6.579 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 271.46 |
| Relative PSA | 0.18353 |
| PolarSurfaceArea | 64.68 |
| Druglikeness | -2.7303 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| StereoCon |
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1 - [(E)-[1-amino-2-(2,4-dichlorophenyl)ethylidene]amino] naphthalene-1-carboxylate | 2 - [(E)-[1-amino-2-(2,4-dichlorophenyl)ethylidene]amino] naphthalene-1-carboxylate
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