N-[2-[(2Z)-2-[(2-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide
Formula:C20H16N3O2Br
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[2-[(2Z)-2-[(2-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide is a drug-like molecule.
| MolName | N-[2-[(2Z)-2-[(2-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide |
| MolecularFormula | C20H16N3O2Br |
| Smiles | O=C(CNC(c1cccc2ccccc12)=O)N/N=C\c(cccc1)c1Br |
| InChI | InChI=1S/C20H16BrN3O2/c21-18-11-4-2-7-15(18)12-23-24-19(25)13-22-20(26)17-10-5-8-14-6-1-3-9-16(14)17/h1-12H,13H2,(H,22,26)(H,24,25) |
| InChIK | HGHMKOGRTJWBRL-UHFFFAOYSA-N |
| TotalMolweight | 410.27 |
| Molweight | 410.27 |
| MonoisotopicMass | 409.042588 |
| CLogP | 4.2049 |
| CLogS | -5.928 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 283.19 |
| Relative PSA | 0.21367 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 3.5387 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61538 |
| 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 |
| Amides | 1 |
| StereoCon |
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1 - N-[2-[(2Z)-2-[(2-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide | 2 - N-[2-[(2Z)-2-[(2-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide
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