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Chemical ID: 5679587
Chemical ID:
5679587
Name [?]:
2-(6-methoxy-1H-indol-3-yl)ethylammonium
SMILES [?]:
COc1ccc2c(c1)[nH]cc2CC[NH3+]
InChi [?]:
InChI=1/C11H14N2O/c1-14-9-2-3-10-8(4-5-12)7-13-11(10)6-9/h2-3,6-7,13H,4-5,12H2,1H3/p+1
InChi Info:
AuxInfo=1/1/N:1,4,5,12,13,8,10,11,3,6,7,14,9,2/rA:14nCOCCCCCCNCCCCN+/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6d10;s11;s12;s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H15N2O+ |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -33.6646 |
Area: | 369.535 |
Solvation: | -42.903 |
Coulombic: | 26.1272 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 191.25 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 1.29 |
LogP (Chemaxon): | 1.56 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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