Bicyclo[4.1.0]hepta-1,3,5-triene
PubChem CID: 138310
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| Compound Synonyms | Bicyclo[4.1.0]hepta-1,3,5-triene, 1,3,5-Norcaratriene, 4646-69-9, Benzocyclopropene, Bicyclo(4.1.0)hepta-1,3,5-triene, Cyclopropabenzene, C7H6, DTXSID50196846, AMSMVCOBCOZLEE-UHFFFAOYSA-N, CHEBI:189198, EAA64669, AKOS015917178, bicyclo[4.1.0]hepta-1,3,5-trien, Bicyclo[4.1.0]hepta-1,3,5-triene #, EN300-1695756, InChI=1/C7H6/c1-2-4-7-5-6(7)3-1/h1-4H,5H |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 7.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 66.1 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | bicyclo[4.1.0]hepta-1,3,5-triene |
| Prediction Hob | 1.0 |
| Xlogp | 1.5 |
| Molecular Formula | C7H6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | AMSMVCOBCOZLEE-UHFFFAOYSA-N |
| Fcsp3 | 0.1428571428571428 |
| Logs | -2.723 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.766 |
| Compound Name | Bicyclo[4.1.0]hepta-1,3,5-triene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 90.047 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 90.047 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 90.12 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 1.4239392857142859 |
| Inchi | InChI=1S/C7H6/c1-2-4-7-5-6(7)3-1/h1-4H,5H2 |
| Smiles | C1C2=CC=CC=C21 |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Lobelia Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients