Chemical ID: 3964363

Cn1ccnc1I
Chemical ID:
3964363
Name [?]:
2-iodo-1-methyl-imidazole
SMILES [?]:
Cn1ccnc1I
InChi [?]:
InChI=1/C4H5IN2/c1-7-3-2-6-4(7)5/h2-3H,1H3
InChi Info:
AuxInfo=1/0/N:1,4,3,6,7,5,2/rA:7nCNCCNCI/rB:s1;s2;d3;s4;s2d5;s6;/rC:;;;;;;;

Chemical Details

Atom Count
Formula:C4H5IN2
All Atoms:7
Heavy Atoms:7
Chiral Atoms:0
ZAP Information [?]
Total:5.44329
Area:263.578
Solvation:-1.14614
Coulombic:-11.4424
Bond Count [?]
All:7
Single:5
Double:2
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:208.0
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:1.34
LogP (Chemaxon):1.4

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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