N'-[(E)-3-naphthalen-1-ylprop-2-enoyl]-2-nitrobenzohydrazide
Formula:C20H15N3O4
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N'-[(E)-3-naphthalen-1-ylprop-2-enoyl]-2-nitrobenzohydrazide is a drug-like molecule.
| MolName | N'-[(E)-3-naphthalen-1-ylprop-2-enoyl]-2-nitrobenzohydrazide |
| MolecularFormula | C20H15N3O4 |
| Smiles | [O-][N+](c(cccc1)c1C(NNC(/C=C/c1cccc2ccccc12)=O)=O)=O |
| InChI | InChI=1S/C20H15N3O4/c24-19(13-12-15-8-5-7-14-6-1-2-9-16(14)15)21-22-20(25)17-10-3-4-11-18(17)23(26)27/h1-13H,(H,21,24)(H,22,25) |
| InChIK | QCNVWUGVGOCPGL-UHFFFAOYSA-N |
| TotalMolweight | 361.356 |
| Molweight | 361.356 |
| MonoisotopicMass | 361.106257 |
| CLogP | 2.2196 |
| CLogS | -5.746 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 276.21 |
| Relative PSA | 0.28753 |
| PolarSurfaceArea | 104.02 |
| Druglikeness | -4.5345 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.55556 |
| 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 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N'-[(E)-3-naphthalen-1-ylprop-2-enoyl]-2-nitrobenzohydrazide | 2 - N'-[(E)-3-naphthalen-1-ylprop-2-enoyl]-2-nitrobenzohydrazide
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