N-[(2,4,5-trimethoxyphenyl)methylidene]nitrous amide
PubChem CID: 162941442
Connections displayed (default: 10).
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| Topological Polar Surface Area | 69.5 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 247.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | N-[(2,4,5-trimethoxyphenyl)methylidene]nitrous amide |
| Prediction Hob | 1.0 |
| Xlogp | 1.3 |
| Molecular Formula | C10H12N2O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | GKJVPLAZDPXARG-UHFFFAOYSA-N |
| Fcsp3 | 0.3 |
| Logs | -2.585 |
| Rotatable Bond Count | 4.0 |
| Logd | 0.749 |
| Compound Name | N-[(2,4,5-trimethoxyphenyl)methylidene]nitrous amide |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 224.08 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 224.08 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 224.21 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -1.9840391999999993 |
| Inchi | InChI=1S/C10H12N2O4/c1-14-8-5-10(16-3)9(15-2)4-7(8)6-11-12-13/h4-6H,1-3H3 |
| Smiles | COC1=CC(=C(C=C1C=NN=O)OC)OC |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Acanthosyris Paulo-Alvinii (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Aglaia Perviridis (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Ardisia Japonica (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Betula Alnoides (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Oocystis Polymorpha (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Phoebe Grandis (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Piper Sarmentosum (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Rubus Pileatus (Plant) Rel Props:Source_db:cmaup_ingredients