[(E)-(1-amino-2-naphthalen-1-ylethylidene)amino] N-phenylcarbamate
Formula:C19H17N3O2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
[(E)-(1-amino-2-naphthalen-1-ylethylidene)amino] N-phenylcarbamate is a drug-like molecule.
| MolName | [(E)-(1-amino-2-naphthalen-1-ylethylidene)amino] N-phenylcarbamate |
| MolecularFormula | C19H17N3O2 |
| Smiles | N/C(/Cc1cccc2ccccc12)=N/OC(Nc1ccccc1)=O |
| InChI | InChI=1S/C19H17N3O2/c20-18(22-24-19(23)21-16-10-2-1-3-11-16)13-15-9-6-8-14-7-4-5-12-17(14)15/h1-12H,13H2,(H2,20,22)(H,21,23) |
| InChIK | BIMISUHNUKJSQZ-UHFFFAOYSA-N |
| TotalMolweight | 319.363 |
| Molweight | 319.363 |
| MonoisotopicMass | 319.132077 |
| CLogP | 4.2585 |
| CLogS | -5.623 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 252.08 |
| Relative PSA | 0.2431 |
| PolarSurfaceArea | 76.71 |
| Druglikeness | -5.8294 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| 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 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - [(E)-(1-amino-2-naphthalen-1-ylethylidene)amino] N-phenylcarbamate | 2 - [(E)-(1-amino-2-naphthalen-1-ylethylidene)amino] N-phenylcarbamate
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