Molecule

ID:54538

General Information
Structure
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Molecular Formula
C₅H₂Cl₂INO
Molecular Mass
289.88595
Exact Mass
288.85581705
Charge
0
InChI
InChI=1S/C5H2Cl2INO/c6-2-1-3(10)4(7)9-5(2)8/h1,10H
InChIKey
MQVZYFNBLGHQLG-UHFFFAOYSA-N
Canonic Smiles
Clc1nc(I)c(cc1O)Cl
Isomeric Smiles
c1(c(nc(c(c1)O)Cl)I)Cl
Calculated Properties
JChem
Acid pKa
6.157307
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.7576087
LogD (pH = 7.4)
1.7227436
Log P
2.8418067
Molar Refractivity
49.6235
Polarizability
19.568308
Polar Surface Area
33.12
Rotatable Bonds
0
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
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Molecule Details
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References
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Bioactivity
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