[(E)-(1-amino-2-naphthalen-1-ylethylidene)amino] 3-chlorobenzoate
Formula:C19H15N2O2Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(E)-(1-amino-2-naphthalen-1-ylethylidene)amino] 3-chlorobenzoate is a drug-like molecule.
| MolName | [(E)-(1-amino-2-naphthalen-1-ylethylidene)amino] 3-chlorobenzoate |
| MolecularFormula | C19H15N2O2Cl |
| Smiles | N/C(/Cc1cccc2ccccc12)=N/OC(c1cccc(Cl)c1)=O |
| InChI | InChI=1S/C19H15ClN2O2/c20-16-9-4-8-15(11-16)19(23)24-22-18(21)12-14-7-3-6-13-5-1-2-10-17(13)14/h1-11H,12H2,(H2,21,22) |
| InChIK | RRFNLHYHUALKIW-UHFFFAOYSA-N |
| TotalMolweight | 338.793 |
| Molweight | 338.793 |
| MonoisotopicMass | 338.082205 |
| CLogP | 4.8706 |
| CLogS | -5.843 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 256.04 |
| Relative PSA | 0.19458 |
| PolarSurfaceArea | 64.68 |
| Druglikeness | -2.7303 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| 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-naphthalen-1-ylethylidene)amino] 3-chlorobenzoate | 2 - [(E)-(1-amino-2-naphthalen-1-ylethylidene)amino] 3-chlorobenzoate
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