Chemical ID: 4115403

c1c(cn[nH]1)I
Chemical ID:
4115403
Name [?]:
4-iodo-1H-pyrazole
SMILES [?]:
c1c(cn[nH]1)I
InChi [?]:
InChI=1/C3H3IN2/c4-3-1-5-6-2-3/h1-2H,(H,5,6)
InChi Info:
AuxInfo=1/1/N:1,3,2,6,5,4/E:(1,2)(5,6)/rA:6nCCCNNI/rB:d1;s2;d3;s1s4;s2;/rC:;;;;;;

Chemical Details

Atom Count
Formula:C3H3IN2
All Atoms:6
Heavy Atoms:6
Chiral Atoms:0
ZAP Information [?]
Total:4.82039
Area:246.248
Solvation:-1.33581
Coulombic:-8.61067
Bond Count [?]
All:6
Single:4
Double:2
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:193.974
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:1.78
LogP (Chemaxon):1.36

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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