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PDBeChem : Molecule Descriptors
Molecule : PHN
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C12H8N2/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1/h1-8H |
2 |
InChIKey
|
InChI |
1.03 |
DGEZNRSVGBDHLK-UHFFFAOYSA-N |
3 |
SMILES
|
ACDLabs |
10.04 |
n1c3c(ccc1)ccc2cccnc23 |
4 |
SMILES
|
CACTVS |
3.341 |
c1cnc2c(c1)ccc3cccnc23 |
5 |
SMILES
|
OpenEye OEToolkits |
1.5.0 |
c1cc2ccc3cccnc3c2nc1 |
6 |
Canonical SMILES
|
CACTVS |
3.341 |
c1cnc2c(c1)ccc3cccnc23 |
7 |
Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
c1cc2ccc3cccnc3c2nc1 |
|