Chemical ID: 5679587

COc1ccc2c(c1)[nH]cc2CC[NH3+]
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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