ZCW
2-(1H-indol-3-yl)ethanol
Created: | 2012-12-17 |
Last modified: | 2017-12-06 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 23 |
Chiral Atom Count | 0 |
Bond Count | 24 |
Aromatic Bond Count | 10 |
Chemical Component Summary | |
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Name | 2-(1H-indol-3-yl)ethanol |
Systematic Name (OpenEye OEToolkits) | 2-(1H-indol-3-yl)ethanol |
Formula | C10 H11 N O |
Molecular Weight | 161.2 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | OCCc2c1ccccc1nc2 |
SMILES | CACTVS | 3.370 | OCCc1c[nH]c2ccccc12 |
SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)c(c[nH]2)CCO |
Canonical SMILES | CACTVS | 3.370 | OCCc1c[nH]c2ccccc12 |
Canonical SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)c(c[nH]2)CCO |
InChI | InChI | 1.03 | InChI=1S/C10H11NO/c12-6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,7,11-12H,5-6H2 |
InChIKey | InChI | 1.03 | MBBOMCVGYCRMEA-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 10685 |
ChEMBL | CHEMBL226545 |
ChEBI | CHEBI:17890 |