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PDBeChem : Molecule Descriptors
Molecule : LW6
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.06 |
InChI=1S/C9H7NO/c11-6-7-2-1-3-9-8(7)4-5-10-9/h1-6,10H |
2 |
InChIKey
|
InChI |
1.06 |
JFDDFGLNZWNJTK-UHFFFAOYSA-N |
3 |
SMILES
|
ACDLabs |
12.01 |
O=Cc1cccc2[NH]ccc12 |
4 |
SMILES
|
CACTVS |
3.385 |
O=Cc1cccc2[nH]ccc12 |
5 |
SMILES
|
OpenEye OEToolkits |
2.0.7 |
c1cc(c2cc[nH]c2c1)C=O |
6 |
Canonical SMILES
|
CACTVS |
3.385 |
O=Cc1cccc2[nH]ccc12 |
7 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.7 |
c1cc(c2cc[nH]c2c1)C=O |
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