Lysianadioic Acid
PubChem CID: 25110755
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| Compound Synonyms | CHEMBL253846, 2-(3-carbamimidamidopropylidene)butanedioic acid, LYSIANADIOIC ACID, BDBM50233004, 2-(3-Carbamimidamidopropylidene)butanedioate |
|---|---|
| Topological Polar Surface Area | 139.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 305.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P15086 |
| Iupac Name | (2Z)-2-[3-(diaminomethylideneamino)propylidene]butanedioic acid |
| Prediction Hob | 1.0 |
| Target Id | NPT6507 |
| Xlogp | -1.6 |
| Molecular Formula | C8H13N3O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FQUBLGQMXQHASY-DJWKRKHSSA-N |
| Fcsp3 | 0.375 |
| Logs | -1.102 |
| Rotatable Bond Count | 6.0 |
| Logd | -0.538 |
| Compound Name | Lysianadioic Acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 215.091 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 215.091 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 215.21 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | 0.037404200000000165 |
| Inchi | InChI=1S/C8H13N3O4/c9-8(10)11-3-1-2-5(7(14)15)4-6(12)13/h2H,1,3-4H2,(H,12,13)(H,14,15)(H4,9,10,11)/b5-2- |
| Smiles | C(CN=C(N)N)/C=C(/CC(=O)O)\C(=O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Lysiana Subfalcata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all