Molecule

ID:54565

General Information
Structure
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Molecular Formula
C₆H₄Cl₂INO
Molecular Mass
303.91253
Exact Mass
302.87146711
Charge
0
InChI
InChI=1S/C6H4Cl2INO/c1-11-4-2-3(7)6(9)10-5(4)8/h2H,1H3
InChIKey
RFPDOODXKOKABD-UHFFFAOYSA-N
Canonic Smiles
COc1cc(Cl)c(nc1Cl)I
Isomeric Smiles
c1(c(nc(c(c1)OC)Cl)I)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.9877007
LogD (pH = 7.4)
2.9877007
Log P
2.9877007
Molar Refractivity
54.1058
Polarizability
21.40424
Polar Surface Area
22.12
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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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
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Bioactivity
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