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PDBeChem : Molecule Descriptors
Molecule : UAH
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C7H10NO5P/c1-5-7(9)2-6(3-8-5)4-13-14(10,11)12/h2-3,9H,4H2,1H3,(H2,10,11,12) |
2 |
InChIKey
|
InChI |
1.03 |
CKIPHKBHPIDPOG-UHFFFAOYSA-N |
3 |
SMILES
|
ACDLabs |
12.01 |
Cc1ncc(cc1O)COP(O)(O)=O |
4 |
SMILES
|
CACTVS |
3.385 |
Cc1ncc(CO[P](O)(O)=O)cc1O |
5 |
SMILES
|
OpenEye OEToolkits |
2.0.4 |
Cc1c(cc(cn1)COP(=O)(O)O)O |
6 |
Canonical SMILES
|
CACTVS |
3.385 |
Cc1ncc(CO[P](O)(O)=O)cc1O |
7 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.4 |
Cc1c(cc(cn1)COP(=O)(O)O)O |
|