(4Z)-N-(3-nitrophenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide
Formula:C16H18N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4Z)-N-(3-nitrophenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide is a drug-like molecule.
| MolName | (4Z)-N-(3-nitrophenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide |
| MolecularFormula | C16H18N2O3 |
| Smiles | [O-][N+](c1cc(NC(C2C3C2CC/C=C\CC3)=O)ccc1)=O |
| InChI | InChI=1S/C16H18N2O3/c19-16(15-13-8-3-1-2-4-9-14(13)15)17-11-6-5-7-12(10-11)18(20)21/h1-2,5-7,10,13-15H,3-4,8-9H2,(H,17,19) |
| InChIK | PTVHKBNXYKHEEV-UHFFFAOYSA-N |
| TotalMolweight | 286.33 |
| Molweight | 286.33 |
| MonoisotopicMass | 286.131743 |
| CLogP | 2.7954 |
| CLogS | -4.192 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 218.18 |
| Relative PSA | 0.25172 |
| PolarSurfaceArea | 74.92 |
| Druglikeness | -7.6681 |
| 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 | 2 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon | unknown chirality |
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