1,2-dimethyl-4-[(E)-prop-1-enyl]benzene
PubChem CID: 15304515
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| Topological Polar Surface Area | 0.0 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 135.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,2-dimethyl-4-[(E)-prop-1-enyl]benzene |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 3.7 |
| Is Pains | False |
| Molecular Formula | C11H14 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DCTPSAXRSBGQRB-SNAWJCMRSA-N |
| Fcsp3 | 0.2727272727272727 |
| Rotatable Bond Count | 1.0 |
| Compound Name | 1,2-dimethyl-4-[(E)-prop-1-enyl]benzene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 146.11 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 146.11 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 146.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.7743809636363634 |
| Inchi | InChI=1S/C11H14/c1-4-5-11-7-6-9(2)10(3)8-11/h4-8H,1-3H3/b5-4+ |
| Smiles | C/C=C/C1=CC(=C(C=C1)C)C |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Asparagus Cochinchinensis (Plant) Rel Props:Source_db:cmaup_ingredients