MFZ
3-(4,7-dichloro-1H-indol-3-yl)prop-2-yn-1-ol
Created: | 2015-11-30 |
Last modified: | 2015-12-23 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 22 |
Chiral Atom Count | 0 |
Bond Count | 23 |
Aromatic Bond Count | 10 |
Chemical Component Summary | |
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Name | 3-(4,7-dichloro-1H-indol-3-yl)prop-2-yn-1-ol |
Systematic Name (OpenEye OEToolkits) | 3-[4,7-bis(chloranyl)-1H-indol-3-yl]prop-2-yn-1-ol |
Formula | C11 H7 Cl2 N O |
Molecular Weight | 240.085 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | OCC#Cc1c[nH]c2c(Cl)ccc(Cl)c12 |
SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(c2c(c1Cl)c(c[nH]2)C#CCO)Cl |
Canonical SMILES | CACTVS | 3.385 | OCC#Cc1c[nH]c2c(Cl)ccc(Cl)c12 |
Canonical SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(c2c(c1Cl)c(c[nH]2)C#CCO)Cl |
InChI | InChI | 1.03 | InChI=1S/C11H7Cl2NO/c12-8-3-4-9(13)11-10(8)7(6-14-11)2-1-5-15/h3-4,6,14-15H,5H2 |
InChIKey | InChI | 1.03 | VIZAOCOKGQUJRZ-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 102006364 |