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PDBeChem : Molecule Descriptors
Molecule : Q7L
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C10H8N2O2/c1-2-9-10(14-6-13-9)5-7(1)8-3-4-11-12-8/h1-5H,6H2,(H,11,12) |
2 |
InChIKey
|
InChI |
1.03 |
LOPAFWMOCZGHFX-UHFFFAOYSA-N |
3 |
SMILES
|
ACDLabs |
12.01 |
c1cc(cc2OCOc12)c1cc[NH]n1 |
4 |
SMILES
|
CACTVS |
3.385 |
C1Oc2ccc(cc2O1)c3cc[nH]n3 |
5 |
SMILES
|
OpenEye OEToolkits |
2.0.7 |
c1cc2c(cc1c3cc[nH]n3)OCO2 |
6 |
Canonical SMILES
|
CACTVS |
3.385 |
C1Oc2ccc(cc2O1)c3cc[nH]n3 |
7 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.7 |
c1cc2c(cc1c3cc[nH]n3)OCO2 |
|