[(E)-[amino(phenyl)methylidene]amino] 3-cyclopentylpropanoate
Formula:C15H20N2O2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
[(E)-[amino(phenyl)methylidene]amino] 3-cyclopentylpropanoate is a drug-like molecule.
| MolName | [(E)-[amino(phenyl)methylidene]amino] 3-cyclopentylpropanoate |
| MolecularFormula | C15H20N2O2 |
| Smiles | N/C(/c1ccccc1)=N/OC(CCC1CCCC1)=O |
| InChI | InChI=1S/C15H20N2O2/c16-15(13-8-2-1-3-9-13)17-19-14(18)11-10-12-6-4-5-7-12/h1-3,8-9,12H,4-7,10-11H2,(H2,16,17) |
| InChIK | JPBPZIJXUXANRK-UHFFFAOYSA-N |
| TotalMolweight | 260.336 |
| Molweight | 260.336 |
| MonoisotopicMass | 260.152478 |
| CLogP | 3.5392 |
| CLogS | -3.962 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 214.06 |
| Relative PSA | 0.23274 |
| PolarSurfaceArea | 64.68 |
| Druglikeness | -6.0563 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| StereoCon |
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