Chemical ID: 7117697

CC[NH+](CC)CCn1c2ccccc2nc1N
Chemical ID:
7117697
Name [?]:
2-(2-aminobenzoimidazol-1-yl)ethyl-diethyl-ammonium
SMILES [?]:
CC[NH+](CC)CCn1c2ccccc2nc1N
InChi [?]:
InChI=1/C13H20N4/c1-3-16(4-2)9-10-17-12-8-6-5-7-11(12)15-13(17)14/h5-8H,3-4,9-10H2,1-2H3,(H2,14,15)/p+1
InChi Info:
AuxInfo=1/1/N:1,5,2,4,12,11,13,10,6,7,14,9,16,17,15,3,8/E:(1,2)(3,4)/rA:17nCCN+CCCCNCCCCCCNCN/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;d10;s11;d12;d9s13;s14;s8d15;s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H21N4+
All Atoms:38
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:-20.7175
Area:432.608
Solvation:-31.5327
Coulombic:0.626123
Bond Count [?]
All:18
Single:14
Double:4
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:233.333
H-Bond Donors:3
H-Bond Acceptors:2
XLogP:1.99
LogP (Chemaxon):2.58

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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