N-[2-[(2Z)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide
Formula:C20H15N3O2Cl2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:low
N-[2-[(2Z)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide is a drug-like molecule.
| MolName | N-[2-[(2Z)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide |
| MolecularFormula | C20H15N3O2Cl2 |
| Smiles | O=C(CNC(c1cccc2ccccc12)=O)N/N=C\c(c(Cl)ccc1)c1Cl |
| InChI | InChI=1S/C20H15Cl2N3O2/c21-17-9-4-10-18(22)16(17)11-24-25-19(26)12-23-20(27)15-8-3-6-13-5-1-2-7-14(13)15/h1-11H,12H2,(H,23,27)(H,25,26) |
| InChIK | DHQLXEYFXOFBPQ-UHFFFAOYSA-N |
| TotalMolweight | 400.264 |
| Molweight | 400.264 |
| MonoisotopicMass | 399.054131 |
| CLogP | 4.6917 |
| CLogS | -6.566 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 295.4 |
| Relative PSA | 0.20484 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 5.3537 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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1 - N-[2-[(2Z)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide | 2 - N-[2-[(2Z)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide
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