2,7-Naphthalenedisulfonic acid, 4-(benzoylamino)-5-hydroxy-
PubChem CID: 67022
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 117-46-4, N-Benzoyl H acid, H Acid, N-benzoyl-, 2,7-Naphthalenedisulfonic acid, 4-(benzoylamino)-5-hydroxy-, 4-benzamido-5-hydroxynaphthalene-2,7-disulfonic acid, EINECS 204-192-9, NSC 16169, DTXSID0059457, 8-Benzamido-1-hydroxy-3,6-naphthalenedisulfonic acid, 2,7-Naphthalenedisulfonic acid, 4-benzamido-5-hydroxy-, 4-(benzoylamino)-5-hydroxy-2,7-naphthalenedisulfonic acid, NSC16169, 2, 4-benzamido-5-hydroxy-, CHEMBL145352, SCHEMBL1413131, DTXCID6033403, RKKZDGOUSIOSIY-UHFFFAOYSA-N, 2, 4-(benzoylamino)-5-hydroxy-, NSC-16169, NS00023787, AE-641/00786016, 4-benzamido-5-hydroxy-naphthalene-2,7-disulfonic acid, 2,7-Naphthalenedisulfonicacid,4-(benzoylamino)-5-hydroxy-, 2,7-Naphthalenedisulfonic acid, 4-benzamido-5-hydroxy-(8CI) |
|---|---|
| Topological Polar Surface Area | 175.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 28.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 779.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P27695 |
| Iupac Name | 4-benzamido-5-hydroxynaphthalene-2,7-disulfonic acid |
| Prediction Hob | 0.0 |
| Target Id | NPT49 |
| Xlogp | 1.7 |
| Molecular Formula | C17H13NO8S2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RKKZDGOUSIOSIY-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -0.379 |
| Rotatable Bond Count | 4.0 |
| Logd | 0.073 |
| Compound Name | 2,7-Naphthalenedisulfonic acid, 4-(benzoylamino)-5-hydroxy- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 423.008 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 423.008 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 423.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.6824859428571433 |
| Inchi | InChI=1S/C17H13NO8S2/c19-15-9-13(28(24,25)26)7-11-6-12(27(21,22)23)8-14(16(11)15)18-17(20)10-4-2-1-3-5-10/h1-9,19H,(H,18,20)(H,21,22,23)(H,24,25,26) |
| Smiles | C1=CC=C(C=C1)C(=O)NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C=C3O)S(=O)(=O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Camellia Oleifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all