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PDBeChem : Molecule Descriptors
Molecule : AP
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C16H11N/c17-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9H,17H2 |
2 |
InChIKey
|
InChI |
1.03 |
YZVWKHVRBDQPMQ-UHFFFAOYSA-N |
3 |
SMILES
|
ACDLabs |
10.04 |
c4cc2ccc1ccc(N)c3c1c2c(cc3)c4 |
4 |
SMILES
|
CACTVS |
3.341 |
Nc1ccc2ccc3cccc4ccc1c2c34 |
5 |
SMILES
|
OpenEye OEToolkits |
1.5.0 |
c1cc2ccc3ccc(c4c3c2c(c1)cc4)N |
6 |
Canonical SMILES
|
CACTVS |
3.341 |
Nc1ccc2ccc3cccc4ccc1c2c34 |
7 |
Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
c1cc2ccc3ccc(c4c3c2c(c1)cc4)N |
|