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Structure
|
|
| Relationships |
Total Number of functionally related protein(s) :
4
Total Number of Articles : 6
|
| PubChem |
74445
|
| Molecular Formula |
C8H8N2O2 |
| SMILES |
C1=CC(=CC(=C1)C(=O)N)C(=O)N |
| InChI |
InChI=1S/C8H8N2O2/c9-7(11)5-2-1-3-6(4-5)8(10)12/h1-4H,(H2,9,11)(H2,10,12) |
| synonyms |
- Isophthalamide
- 1,3-Benzenedicarboxamide
- benzene-1,3-dicarboxamide
- m-Phthalamide
- Isophthaldiamide
- m-Carbamoylbenzamide
- Isophthalic acid diamide
- BRN 2045544
- UNII-ZP57YML58I
- EINECS 217-104-9
- ZP57YML58I
- CHEBI:38801
- QZUPTXGVPYNUIT-UHFFFAOYSA-
- DTXSID20169744
- 1-09-00-00372 (Beilstein Handbook Reference)
- DTXCID6092235
- inchi=1/c8h8n2o2/c9-7(11)5-2-1-3-6(4-5)8(10)12/h1-4h,(h2,9,11)(h2,10,12)
- qzuptxgvpynuit-uhfffaoysa-n
- 1740-57-4
- MFCD00014801
- ISO-PHTHALAMIDE
- TimTec1_002854
- Oprea1_838972
- SCHEMBL36694
- SCHEMBL1570178
- SCHEMBL4628895
- SCHEMBL5825944
- SCHEMBL7305438
- HMS1542B16
- STL260986
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| Properties |
| Property |
Value |
| MW |
164.16 g/mol |
| HBD |
2 |
| HBA |
2 |
| Rotatable Bond Count |
2 |
| Exact Mass |
164.058577502 g/mol |
| Monoisotopic Mass |
164.058577502 g/mol |
| Heavy Atom Count |
12 |
| Isotope Atom Count |
0 |
| Atom Stereo Count |
0 |
| Covalent Unit Count |
1 |
| Complexity |
183 |
| xlogp |
-0.2 |
| Topological Polar Surface Area |
86.2 |
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