Molecule

ID:45149

General Information
Structure
Molecular Formula
C₆H₃Cl₂IN₂O₂
Molecular Mass
332.91069
Exact Mass
331.86163071
Charge
0
InChI
InChI=1S/C6H3Cl2IN2O2/c1-13-5(12)3-2(9)4(7)11-6(8)10-3/h1H3
InChIKey
KECMJPAEJITPMB-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1nc(Cl)nc(c1I)Cl
Isomeric Smiles
c1(c(c(nc(n1)Cl)Cl)I)C(=O)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.9007795
LogD (pH = 7.4)
2.9007795
Log P
2.9007795
Molar Refractivity
59.1028
Polarizability
22.67341
Polar Surface Area
52.08
Rotatable Bonds
2
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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