N-[(Z)-(2-nitrophenyl)methylideneamino]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
Formula:C19H15N5O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
N-[(Z)-(2-nitrophenyl)methylideneamino]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(2-nitrophenyl)methylideneamino]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide |
| MolecularFormula | C19H15N5O3 |
| Smiles | [O-][N+](c1c(/C=N\NC(c2c(CCc3c-4cccc3)c4n[nH]2)=O)cccc1)=O |
| InChI | InChI=1S/C19H15N5O3/c25-19(23-20-11-13-6-2-4-8-16(13)24(26)27)18-15-10-9-12-5-1-3-7-14(12)17(15)21-22-18/h1-8,11H,9-10H2,(H,21,22)(H,23,25) |
| InChIK | LONFIFPKQNNGRA-UHFFFAOYSA-N |
| TotalMolweight | 361.36 |
| Molweight | 361.36 |
| MonoisotopicMass | 361.11749 |
| CLogP | 2.4506 |
| CLogS | -5.108 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 272.77 |
| Relative PSA | 0.33504 |
| PolarSurfaceArea | 115.96 |
| Druglikeness | -0.3746 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(Z)-(2-nitrophenyl)methylideneamino]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide | 2 - N-[(Z)-(2-nitrophenyl)methylideneamino]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
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