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PDBeChem : Molecule Descriptors
Molecule : MJ5
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C13H12O2/c1-10-7-8-13(12(14)9-10)15-11-5-3-2-4-6-11/h2-9,14H,1H3 |
2 |
InChIKey
|
InChI |
1.03 |
HUPPMDCSGSHZHI-UHFFFAOYSA-N |
3 |
SMILES
|
ACDLabs |
12.01 |
O(c1ccccc1)c2ccc(cc2O)C |
4 |
SMILES
|
CACTVS |
3.370 |
Cc1ccc(Oc2ccccc2)c(O)c1 |
5 |
SMILES
|
OpenEye OEToolkits |
1.7.6 |
Cc1ccc(c(c1)O)Oc2ccccc2 |
6 |
Canonical SMILES
|
CACTVS |
3.370 |
Cc1ccc(Oc2ccccc2)c(O)c1 |
7 |
Canonical SMILES
|
OpenEye OEToolkits |
1.7.6 |
Cc1ccc(c(c1)O)Oc2ccccc2 |
|