(4-Nitrophenyl) 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
PubChem CID: 67089990
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| Compound Synonyms | SCHEMBL1597196 |
|---|---|
| Topological Polar Surface Area | 102.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 438.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (4-nitrophenyl) 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate |
| Prediction Hob | 1.0 |
| Xlogp | 3.2 |
| Molecular Formula | C16H13NO6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VIQDYVAKUJDZBD-UHFFFAOYSA-N |
| Fcsp3 | 0.0625 |
| Logs | -4.633 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.406 |
| Compound Name | (4-Nitrophenyl) 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 315.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 315.074 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 315.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.8134291565217393 |
| Inchi | InChI=1S/C16H13NO6/c1-22-15-10-11(2-8-14(15)18)3-9-16(19)23-13-6-4-12(5-7-13)17(20)21/h2-10,18H,1H3 |
| Smiles | COC1=C(C=CC(=C1)C=CC(=O)OC2=CC=C(C=C2)[N+](=O)[O-])O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Polyalthia Nemoralis (Plant) Rel Props:Source_db:cmaup_ingredients