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Chemical ID: 5076370
Chemical ID:
5076370
Name [?]:
2-(5-methoxy-1H-indol-3-yl)ethanol
SMILES [?]:
COc1ccc2c(c1)c(c[nH]2)CCO
InChi [?]:
InChI=1/C11H13NO2/c1-14-9-2-3-11-10(6-9)8(4-5-13)7-12-11/h2-3,6-7,12-13H,4-5H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,5,12,13,8,10,9,3,7,6,11,14,2/rA:14nCOCCCCCCCCNCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s6s10;s9;s12;s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H13NO2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.77265 |
Area: | 367.874 |
Solvation: | -3.42421 |
Coulombic: | -34.5667 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 191.226 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 1.36 |
LogP (Chemaxon): | 1.91 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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