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Chemical ID: 6701021
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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Experimental Annotations
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Descriptor Annotations
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