Molecule

ID:28423

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₀ClIO₂
Molecular Mass
384.59617
Exact Mass
383.94140524
Charge
0
InChI
InChI=1S/C15H10ClIO2/c16-12-5-1-10(2-6-12)9-14(15(18)19)11-3-7-13(17)8-4-11/h1-9H,(H,18,19)/b14-9-
InChIKey
VIACNOMAKCIAAP-ZROIWOOFSA-N
Canonic Smiles
Clc1ccc(cc1)/C=C(/c1ccc(cc1)I)\C(=O)O
Isomeric Smiles
C(=C\c1ccc(Cl)cc1)(\C(=O)O)/c1ccc(cc1)I
Calculated Properties
JChem
Acid pKa
2.70776
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.6172576
LogD (pH = 7.4)
1.83656
Log P
5.3371634
Molar Refractivity
85.6793
Polarizability
32.822067
Polar Surface Area
37.3
Rotatable Bonds
3
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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