(Z)-1-(2-indolyl)-2-phenylethylene
PubChem CID: 67937868
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| Compound Synonyms | SCHEMBL9834598, IINBTRZAAVTTRD-KHPPLWFESA-N, (Z)-1-(2-indolyl)-2-phenylethylene |
|---|---|
| Topological Polar Surface Area | 15.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 265.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-[(Z)-2-phenylethenyl]-1H-indole |
| Prediction Hob | 1.0 |
| Xlogp | 4.4 |
| Molecular Formula | C16H13N |
| Prediction Swissadme | 0.0 |
| Inchi Key | IINBTRZAAVTTRD-KHPPLWFESA-N |
| Fcsp3 | 0.0 |
| Logs | -5.272 |
| Rotatable Bond Count | 2.0 |
| Logd | 4.058 |
| Compound Name | (Z)-1-(2-indolyl)-2-phenylethylene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 219.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 219.105 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 219.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.461020576470588 |
| Inchi | InChI=1S/C16H13N/c1-2-6-13(7-3-1)10-11-15-12-14-8-4-5-9-16(14)17-15/h1-12,17H/b11-10- |
| Smiles | C1=CC=C(C=C1)/C=C\C2=CC3=CC=CC=C3N2 |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Digitalis Lanata (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Evolvulus Alsinoides (Plant) Rel Props:Source_db:cmaup_ingredients