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PDBeChem : Molecule Descriptors
Molecule : R6T
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C14H9NO2/c15-14(17)11-7-3-6-10-12(11)8-4-1-2-5-9(8)13(10)16/h1-7H,(H2,15,17) |
2 |
InChIKey
|
InChI |
1.03 |
PRROCNFTWSJBTJ-UHFFFAOYSA-N |
3 |
SMILES
|
ACDLabs |
12.01 |
O=C(c2cccc3C(=O)c1ccccc1c23)N |
4 |
SMILES
|
CACTVS |
3.385 |
NC(=O)c1cccc2C(=O)c3ccccc3c12 |
5 |
SMILES
|
OpenEye OEToolkits |
2.0.7 |
c1ccc2c(c1)-c3c(cccc3C(=O)N)C2=O |
6 |
Canonical SMILES
|
CACTVS |
3.385 |
NC(=O)c1cccc2C(=O)c3ccccc3c12 |
7 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.7 |
c1ccc2c(c1)-c3c(cccc3C(=O)N)C2=O |
|