(2Z,4Z,6Z)-bicyclo[6.1.0]nona-2,4,6-triene-9-carboxylic acid
Formula:C10H10O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z,4Z,6Z)-bicyclo[6.1.0]nona-2,4,6-triene-9-carboxylic acid is a drug-like molecule.
| MolName | (2Z,4Z,6Z)-bicyclo[6.1.0]nona-2,4,6-triene-9-carboxylic acid |
| MolecularFormula | C10H10O2 |
| Smiles | OC(C1C2/C=C\C=C/C=C\C12)=O |
| InChI | InChI=1S/C10H10O2/c11-10(12)9-7-5-3-1-2-4-6-8(7)9/h1-9H,(H,11,12)/b2-1?,5-3-,6-4? |
| InChIK | JQMVRGKHZBQVQB-FWXZDEHOSA-N |
| TotalMolweight | 162.187 |
| Molweight | 162.187 |
| MonoisotopicMass | 162.06808 |
| CLogP | 1.5502 |
| CLogS | -1.777 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 127.6 |
| Relative PSA | 0.20486 |
| PolarSurfaceArea | 37.3 |
| Druglikeness | 0.12617 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 12 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| StereoCenters | 2 |
| Rotatable Bond | 1 |
| Rings Closures | 2 |
| Small Rings | 1 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon | unknown chirality |
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1 - (2Z,4Z,6Z)-bicyclo[6.1.0]nona-2,4,6-triene-9-carboxylic acid | 2 - (2Z,4Z,6Z)-bicyclo[6.1.0]nona-2,4,6-triene-9-carboxylic acid
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