[(E)-[amino(pyridin-3-yl)methylidene]amino] 3-cyclopentylpropanoate
Formula:C14H19N3O2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
[(E)-[amino(pyridin-3-yl)methylidene]amino] 3-cyclopentylpropanoate is a drug-like molecule.
| MolName | [(E)-[amino(pyridin-3-yl)methylidene]amino] 3-cyclopentylpropanoate |
| MolecularFormula | C14H19N3O2 |
| Smiles | N/C(/c1cnccc1)=N/OC(CCC1CCCC1)=O |
| InChI | InChI=1S/C14H19N3O2/c15-14(12-6-3-9-16-10-12)17-19-13(18)8-7-11-4-1-2-5-11/h3,6,9-11H,1-2,4-5,7-8H2,(H2,15,17) |
| InChIK | OWIPJWQJOYWOBQ-UHFFFAOYSA-N |
| TotalMolweight | 261.324 |
| Molweight | 261.324 |
| MonoisotopicMass | 261.147727 |
| CLogP | 2.5383 |
| CLogS | -3.167 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 212.82 |
| Relative PSA | 0.28564 |
| PolarSurfaceArea | 77.57 |
| Druglikeness | -6.0563 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - [(E)-[amino(pyridin-3-yl)methylidene]amino] 3-cyclopentylpropanoate | 2 - [(E)-[amino(pyridin-3-yl)methylidene]amino] 3-cyclopentylpropanoate
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