(1R,6S)-N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
Formula:C13H15N3O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(1R,6S)-N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide is a drug-like molecule.
| MolName | (1R,6S)-N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide |
| MolecularFormula | C13H15N3O3S |
| Smiles | [O-][N+](c1ccc(/C=N\NC(C2[C@@H]3[C@H]2CCCC3)=O)s1)=O |
| InChI | InChI=1S/C13H15N3O3S/c17-13(12-9-3-1-2-4-10(9)12)15-14-7-8-5-6-11(20-8)16(18)19/h5-7,9-10,12H,1-4H2,(H,15,17)/t9-,10+,12? |
| InChIK | MWEPLDZUOTVQQC-DHHPTOIESA-N |
| TotalMolweight | 293.346 |
| Molweight | 293.346 |
| MonoisotopicMass | 293.083412 |
| CLogP | 2.1399 |
| CLogS | -4.633 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 212.38 |
| Relative PSA | 0.40865 |
| PolarSurfaceArea | 115.52 |
| Druglikeness | -3.8335 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 3 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 4 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 8 |
| AcidicOxygens | 1 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - (1R,6S)-N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide | 2 - (1R,6S)-N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
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