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PDBeChem : Molecule Descriptors
Molecule : AEH
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C10H15NO/c1-2-9-7-8(5-6-11)3-4-10(9)12/h3-4,7,12H,2,5-6,11H2,1H3 |
2 |
InChIKey
|
InChI |
1.03 |
LDAFQVRTSOETPE-UHFFFAOYSA-N |
3 |
SMILES
|
ACDLabs |
10.04 |
Oc1ccc(cc1CC)CCN |
4 |
SMILES
|
CACTVS |
3.341 |
CCc1cc(CCN)ccc1O |
5 |
SMILES
|
OpenEye OEToolkits |
1.5.0 |
CCc1cc(ccc1O)CCN |
6 |
Canonical SMILES
|
CACTVS |
3.341 |
CCc1cc(CCN)ccc1O |
7 |
Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
CCc1cc(ccc1O)CCN |
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