1-(cyclohepten-1-yl)-2-(3-nitrophenyl)hydrazine
Formula:C13H17N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-(cyclohepten-1-yl)-2-(3-nitrophenyl)hydrazine is a drug-like molecule.
| MolName | 1-(cyclohepten-1-yl)-2-(3-nitrophenyl)hydrazine |
| MolecularFormula | C13H17N3O2 |
| Smiles | [O-][N+](c1cc(NNC2=CCCCCC2)ccc1)=O |
| InChI | InChI=1S/C13H17N3O2/c17-16(18)13-9-5-8-12(10-13)15-14-11-6-3-1-2-4-7-11/h5-6,8-10,14-15H,1-4,7H2 |
| InChIK | RVHCZVIKTZVGLC-UHFFFAOYSA-N |
| TotalMolweight | 247.297 |
| Molweight | 247.297 |
| MonoisotopicMass | 247.132077 |
| CLogP | 2.8094 |
| CLogS | -3.692 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 199.86 |
| Relative PSA | 0.26689 |
| PolarSurfaceArea | 69.88 |
| Druglikeness | -10.193 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| AcidicOxygens | 1 |
| StereoCon |
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