Chemical ID: 5703470

c1ccc2c(c1)c(c[nH]2)CC[NH3+]
Chemical ID:
5703470
Name [?]:
2-(1H-indol-3-yl)ethylammonium
SMILES [?]:
c1ccc2c(c1)c(c[nH]2)CC[NH3+]
InChi [?]:
InChI=1/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2/p+1
InChi Info:
AuxInfo=1/1/N:1,2,6,3,10,11,8,7,5,4,12,9/rA:12nCCCCCCCCNCCN+/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s7;s10;s11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H13N2+
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:-32.6183
Area:331.365
Solvation:-40.9024
Coulombic:31.6012
Bond Count [?]
All:13
Single:9
Double:4
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:161.224
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:1.37
LogP (Chemaxon):1.82

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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