N-[2-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide
Formula:C20H16N3O2Cl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[2-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide is a drug-like molecule.
| MolName | N-[2-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide |
| MolecularFormula | C20H16N3O2Cl |
| Smiles | O=C(CNC(c1cccc2ccccc12)=O)N/N=C\c(cc1)ccc1Cl |
| InChI | InChI=1S/C20H16ClN3O2/c21-16-10-8-14(9-11-16)12-23-24-19(25)13-22-20(26)18-7-3-5-15-4-1-2-6-17(15)18/h1-12H,13H2,(H,22,26)(H,24,25) |
| InChIK | DREFXNAMCNWXRL-UHFFFAOYSA-N |
| TotalMolweight | 365.819 |
| Molweight | 365.819 |
| MonoisotopicMass | 365.093104 |
| CLogP | 4.0857 |
| CLogS | -5.83 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 279.98 |
| Relative PSA | 0.21612 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 5.3537 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[2-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide | 2 - N-[2-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off