Molecule

ID:77657

General Information
Structure
MolImage
Molecular Formula
C₄H₆ClIN₂
Molecular Mass
244.46131
Exact Mass
243.92642388
Charge
0
InChI
InChI=1S/C4H5IN2.ClH/c1-7-2-4(5)6-3-7;/h2-3H,1H3;1H
InChIKey
XGCYPLUTJZOYTB-UHFFFAOYSA-N
Canonic Smiles
Cn1cc(nc1)I.Cl
Isomeric Smiles
n1cn(cc1I)C.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.96752006
LogD (pH = 7.4)
1.0389526
Log P
1.039984
Molar Refractivity
36.9801
Polarizability
14.336325
Polar Surface Area
17.82
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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