2-cyano-N-[(Z)-[4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]acetamide
Formula:C21H17N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-cyano-N-[(Z)-[4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-cyano-N-[(Z)-[4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]acetamide |
| MolecularFormula | C21H17N3O2 |
| Smiles | N#CCC(N/N=C\c(cc1)ccc1OCc1cc2ccccc2cc1)=O |
| InChI | InChI=1S/C21H17N3O2/c22-12-11-21(25)24-23-14-16-6-9-20(10-7-16)26-15-17-5-8-18-3-1-2-4-19(18)13-17/h1-10,13-14H,11,15H2,(H,24,25) |
| InChIK | CTLDWNIWFPAOQA-UHFFFAOYSA-N |
| TotalMolweight | 343.385 |
| Molweight | 343.385 |
| MonoisotopicMass | 343.132077 |
| CLogP | 4.0003 |
| CLogS | -5.916 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 280.82 |
| Relative PSA | 0.21213 |
| PolarSurfaceArea | 74.48 |
| Druglikeness | -3.2314 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.73077 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon |
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