N-[(Z)-[(E)-3-(2-chlorophenyl)prop-2-enylidene]amino]-2-naphthalen-1-ylacetamide
Formula:C21H17N2OCl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[(E)-3-(2-chlorophenyl)prop-2-enylidene]amino]-2-naphthalen-1-ylacetamide is not a drug-like molecule.
| MolName | N-[(Z)-[(E)-3-(2-chlorophenyl)prop-2-enylidene]amino]-2-naphthalen-1-ylacetamide |
| MolecularFormula | C21H17N2OCl |
| Smiles | O=C(Cc1cccc2ccccc12)N/N=C\C=C\c(cccc1)c1Cl |
| InChI | InChI=1S/C21H17ClN2O/c22-20-13-4-2-8-17(20)11-6-14-23-24-21(25)15-18-10-5-9-16-7-1-3-12-19(16)18/h1-14H,15H2,(H,24,25) |
| InChIK | HMXREFKWUVOSRC-UHFFFAOYSA-N |
| TotalMolweight | 348.832 |
| Molweight | 348.832 |
| MonoisotopicMass | 348.10294 |
| CLogP | 5.0184 |
| CLogS | -6.32 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 277.27 |
| Relative PSA | 0.12987 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | 4.43 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| StereoCon |
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