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PDBeChem : Molecule Descriptors
Molecule : SYD
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C12H12NO3P/c14-17(15,16)9-12-7-6-11(8-13-12)10-4-2-1-3-5-10/h1-8H,9H2,(H2,14,15,16) |
2 |
InChIKey
|
InChI |
1.03 |
JTYLHYFDHHMHKD-UHFFFAOYSA-N |
3 |
SMILES
|
ACDLabs |
12.01 |
O=P(O)(O)Cc1ncc(cc1)c2ccccc2 |
4 |
SMILES
|
CACTVS |
3.370 |
O[P](O)(=O)Cc1ccc(cn1)c2ccccc2 |
5 |
SMILES
|
OpenEye OEToolkits |
1.7.0 |
c1ccc(cc1)c2ccc(nc2)CP(=O)(O)O |
6 |
Canonical SMILES
|
CACTVS |
3.370 |
O[P](O)(=O)Cc1ccc(cn1)c2ccccc2 |
7 |
Canonical SMILES
|
OpenEye OEToolkits |
1.7.0 |
c1ccc(cc1)c2ccc(nc2)CP(=O)(O)O |
|