[(E)-(1-amino-2-naphthalen-1-ylethylidene)amino] 3-phenylpropanoate
Formula:C21H20N2O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
[(E)-(1-amino-2-naphthalen-1-ylethylidene)amino] 3-phenylpropanoate is a drug-like molecule.
| MolName | [(E)-(1-amino-2-naphthalen-1-ylethylidene)amino] 3-phenylpropanoate |
| MolecularFormula | C21H20N2O2 |
| Smiles | N/C(/Cc1cccc2ccccc12)=N/OC(CCc1ccccc1)=O |
| InChI | InChI=1S/C21H20N2O2/c22-20(15-18-11-6-10-17-9-4-5-12-19(17)18)23-25-21(24)14-13-16-7-2-1-3-8-16/h1-12H,13-15H2,(H2,22,23) |
| InChIK | ARVOKGAXFCHXJQ-UHFFFAOYSA-N |
| TotalMolweight | 332.402 |
| Molweight | 332.402 |
| MonoisotopicMass | 332.152478 |
| CLogP | 4.7171 |
| CLogS | -5.342 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 268.14 |
| Relative PSA | 0.1858 |
| PolarSurfaceArea | 64.68 |
| Druglikeness | -6.0195 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| StereoCon |
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