Chemical ID: 6709996

Cc1c(c2cc(ccc2[nH]1)OC)CC[NH3+]
Chemical ID:
6709996
Name [?]:
2-(5-methoxy-2-methyl-1H-indol-3-yl)ethylammonium
SMILES [?]:
Cc1c(c2cc(ccc2[nH]1)OC)CC[NH3+]
InChi [?]:
InChI=1/C12H16N2O/c1-8-10(5-6-13)11-7-9(15-2)3-4-12(11)14-8/h3-4,7,14H,5-6,13H2,1-2H3/p+1
InChi Info:
AuxInfo=1/1/N:1,12,7,8,13,14,5,2,6,3,4,9,15,10,11/rA:15nCCCCCCCCCNOCCCN+/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;s2s9;s6;s11;s3;s13;s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H17N2O+
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:-32.1001
Area:387.791
Solvation:-41.7948
Coulombic:25.3936
Bond Count [?]
All:16
Single:12
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:205.276
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.52
LogP (Chemaxon):1.58

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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