(4Z)-N-(3-chlorophenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide
Formula:C16H18NOCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4Z)-N-(3-chlorophenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide is a drug-like molecule.
| MolName | (4Z)-N-(3-chlorophenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide |
| MolecularFormula | C16H18NOCl |
| Smiles | O=C(C1C2C1CC/C=C\CC2)Nc1cccc(Cl)c1 |
| InChI | InChI=1S/C16H18ClNO/c17-11-6-5-7-12(10-11)18-16(19)15-13-8-3-1-2-4-9-14(13)15/h1-2,5-7,10,13-15H,3-4,8-9H2,(H,18,19) |
| InChIK | IRVBYLYSSMJYGQ-UHFFFAOYSA-N |
| TotalMolweight | 275.778 |
| Molweight | 275.778 |
| MonoisotopicMass | 275.107691 |
| CLogP | 4.323 |
| CLogS | -4.468 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 209.93 |
| Relative PSA | 0.11671 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | -2.5175 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| StereoCenters | 2 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon | unknown chirality |
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