[(Z)-[amino(pyridin-4-yl)methylidene]amino] 4-phenoxybutanoate
Formula:C16H17N3O3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
[(Z)-[amino(pyridin-4-yl)methylidene]amino] 4-phenoxybutanoate is a drug-like molecule.
| MolName | [(Z)-[amino(pyridin-4-yl)methylidene]amino] 4-phenoxybutanoate |
| MolecularFormula | C16H17N3O3 |
| Smiles | N/C(/c1ccncc1)=N\OC(CCCOc1ccccc1)=O |
| InChI | InChI=1S/C16H17N3O3/c17-16(13-8-10-18-11-9-13)19-22-15(20)7-4-12-21-14-5-2-1-3-6-14/h1-3,5-6,8-11H,4,7,12H2,(H2,17,19) |
| InChIK | ZHJBFWGDTVXJNC-UHFFFAOYSA-N |
| TotalMolweight | 299.329 |
| Molweight | 299.329 |
| MonoisotopicMass | 299.126992 |
| CLogP | 2.5549 |
| CLogS | -3.061 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 242.3 |
| Relative PSA | 0.29216 |
| PolarSurfaceArea | 86.8 |
| Druglikeness | -8.8373 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 8 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - [(Z)-[amino(pyridin-4-yl)methylidene]amino] 4-phenoxybutanoate | 2 - [(Z)-[amino(pyridin-4-yl)methylidene]amino] 4-phenoxybutanoate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off