HH6
3-(4-hydroxyphenyl)-1H-indazol-6-ol
Created: | 2012-04-04 |
Last modified: | 2012-04-04 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 27 |
Chiral Atom Count | 0 |
Bond Count | 29 |
Aromatic Bond Count | 16 |
Chemical Component Summary | |
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Name | 3-(4-hydroxyphenyl)-1H-indazol-6-ol |
Systematic Name (OpenEye OEToolkits) | 3-(4-hydroxyphenyl)-1H-indazol-6-ol |
Formula | C13 H10 N2 O2 |
Molecular Weight | 226.231 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n2c(c1ccc(O)cc1n2)c3ccc(O)cc3 |
SMILES | CACTVS | 3.370 | Oc1ccc(cc1)c2n[nH]c3cc(O)ccc23 |
SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1c2c3ccc(cc3[nH]n2)O)O |
Canonical SMILES | CACTVS | 3.370 | Oc1ccc(cc1)c2n[nH]c3cc(O)ccc23 |
Canonical SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1c2c3ccc(cc3[nH]n2)O)O |
InChI | InChI | 1.03 | InChI=1S/C13H10N2O2/c16-9-3-1-8(2-4-9)13-11-6-5-10(17)7-12(11)14-15-13/h1-7,16-17H,(H,14,15) |
InChIKey | InChI | 1.03 | MUAYFXCYAHFDBS-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 135566717 |
ChEMBL | CHEMBL2042885 |