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PDBeChem : Molecule Descriptors
Molecule : 02J
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C5H5NO3/c1-3-2-4(5(7)8)6-9-3/h2H,1H3,(H,7,8) |
2 |
InChIKey
|
InChI |
1.03 |
BNMPIJWVMVNSRD-UHFFFAOYSA-N |
3 |
SMILES
|
ACDLabs |
12.01 |
O=C(O)c1noc(c1)C |
4 |
SMILES
|
CACTVS |
3.370 |
Cc1onc(c1)C(O)=O |
5 |
SMILES
|
OpenEye OEToolkits |
1.7.2 |
Cc1cc(no1)C(=O)O |
6 |
Canonical SMILES
|
CACTVS |
3.370 |
Cc1onc(c1)C(O)=O |
7 |
Canonical SMILES
|
OpenEye OEToolkits |
1.7.2 |
Cc1cc(no1)C(=O)O |
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