(4Z,8Z)-N-(3-nitrophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide
Formula:C20H24N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4Z,8Z)-N-(3-nitrophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide is a drug-like molecule.
| MolName | (4Z,8Z)-N-(3-nitrophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide |
| MolecularFormula | C20H24N2O3 |
| Smiles | [O-][N+](c1cc(NC(C2C3C2CC/C=C\CC/C=C\CC3)=O)ccc1)=O |
| InChI | InChI=1S/C20H24N2O3/c23-20(21-15-10-9-11-16(14-15)22(24)25)19-17-12-7-5-3-1-2-4-6-8-13-18(17)19/h3-6,9-11,14,17-19H,1-2,7-8,12-13H2,(H,21,23) |
| InChIK | MWKIJKCNHZZODI-UHFFFAOYSA-N |
| TotalMolweight | 340.422 |
| Molweight | 340.422 |
| MonoisotopicMass | 340.178693 |
| CLogP | 4.3608 |
| CLogS | -5.044 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 272.2 |
| Relative PSA | 0.20176 |
| PolarSurfaceArea | 74.92 |
| Druglikeness | -7.6681 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 2 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 10 |
| Symmetricatoms | 6 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon | unknown chirality |
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1 - (4Z,8Z)-N-(3-nitrophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide | 2 - (4Z,8Z)-N-(3-nitrophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide
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