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Chemical ID: 7117697
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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