Chemical ID: 6701021

c1cc(nnc1n2cc[nH+]c2)Cl
Chemical ID:
6701021
Name [?]:
3-chloro-6-(3H-imidazol-1-yl)pyridazine
SMILES [?]:
c1cc(nnc1n2cc[nH+]c2)Cl
InChi [?]:
InChI=1/C7H5ClN4/c8-6-1-2-7(11-10-6)12-4-3-9-5-12/h1-5H/p+1
InChi Info:
AuxInfo=1/1/N:2,1,9,8,11,3,6,12,10,4,5,7/rA:12nCCCNNCNCCN+CCl/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s9;s7d10;s3;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H6ClN4+
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:-27.8433
Area:335.051
Solvation:-36.2196
Coulombic:0.11339
Bond Count [?]
All:13
Single:8
Double:5
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:181.602
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:1.62
LogP (Chemaxon):0.35

Name Annotations

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Descriptor Annotations

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