[(E)-[amino(phenyl)methylidene]amino] 4-phenylbutanoate
Formula:C17H18N2O2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
[(E)-[amino(phenyl)methylidene]amino] 4-phenylbutanoate is a drug-like molecule.
| MolName | [(E)-[amino(phenyl)methylidene]amino] 4-phenylbutanoate |
| MolecularFormula | C17H18N2O2 |
| Smiles | N/C(/c1ccccc1)=N/OC(CCCc1ccccc1)=O |
| InChI | InChI=1S/C17H18N2O2/c18-17(15-11-5-2-6-12-15)19-21-16(20)13-7-10-14-8-3-1-4-9-14/h1-6,8-9,11-12H,7,10,13H2,(H2,18,19) |
| InChIK | ZEVOCZHOUHWUAT-UHFFFAOYSA-N |
| TotalMolweight | 282.342 |
| Molweight | 282.342 |
| MonoisotopicMass | 282.136828 |
| CLogP | 3.979 |
| CLogS | -4.041 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 233.54 |
| Relative PSA | 0.21333 |
| PolarSurfaceArea | 64.68 |
| Druglikeness | -11.183 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| StereoCon |
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