FIP
Summary
Name: | 5-FLUOROINDOLE PROPANOL PHOSPHATE |
Formula: | C11 H13 F N O4 P |
Formal charge: | 0 |
Formula weight: | 273.197 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | 3-(5-fluoro-1H-indol-3-yl)propyl dihydrogen phosphate |
OpenEye OEToolkits | 1.5.0 | 3-(5-fluoro-1H-indol-3-yl)propyl dihydrogen phosphate |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Fc1cc2c(cc1)ncc2CCCOP(=O)(O)O |
SMILES_CANONICAL | CACTVS | 3.341 | O[P](O)(=O)OCCCc1c[nH]c2ccc(F)cc12 |
SMILES | CACTVS | 3.341 | O[P](O)(=O)OCCCc1c[nH]c2ccc(F)cc12 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc2c(cc1F)c(c[nH]2)CCCOP(=O)(O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | c1cc2c(cc1F)c(c[nH]2)CCCOP(=O)(O)O |
InChI | InChI | 1.03 | InChI=1S/C11H13FNO4P/c12-9-3-4-11-10(6-9)8(7-13-11)2-1-5-17-18(14,15)16/h3-4,6-7,13H,1-2,5H2,(H2,14,15,16) |
InChIKey | InChI | 1.03 | YVYGGBFCYXRNKM-UHFFFAOYSA-N |