1-(3-nitrophenyl)-2-[(5S,7R)-2-tricyclo[3.3.1.13,7]dec-1-enyl]hydrazine
Formula:C16H19N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-(3-nitrophenyl)-2-[(5S,7R)-2-tricyclo[3.3.1.13,7]dec-1-enyl]hydrazine is a drug-like molecule.
| MolName | 1-(3-nitrophenyl)-2-[(5S,7R)-2-tricyclo[3.3.1.13,7]dec-1-enyl]hydrazine |
| MolecularFormula | C16H19N3O2 |
| Smiles | [O-][N+](c1cc(NNC2=C3C[C@@H](C4)CC2C[C@@H]4C3)ccc1)=O |
| InChI | InChI=1S/C16H19N3O2/c20-19(21)15-3-1-2-14(9-15)17-18-16-12-5-10-4-11(7-12)8-13(16)6-10/h1-3,9-12,17-18H,4-8H2/t10-,11-/m1/s1 |
| InChIK | VVVWIHVLOQXHDV-GHMZBOCLSA-N |
| TotalMolweight | 285.346 |
| Molweight | 285.346 |
| MonoisotopicMass | 285.147727 |
| CLogP | 3.1291 |
| CLogS | -4.198 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 208.57 |
| Relative PSA | 0.25574 |
| PolarSurfaceArea | 69.88 |
| Druglikeness | -3.9219 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 3 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 5 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 10 |
| AcidicOxygens | 1 |
| StereoCon | unknown chirality |
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1 - 1-(3-nitrophenyl)-2-[(5S,7R)-2-tricyclo[3.3.1.13,7]dec-1-enyl]hydrazine | 2 - 1-(3-nitrophenyl)-2-[(5S,7R)-2-tricyclo[3.3.1.13,7]dec-1-enyl]hydrazine
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