Molecule

ID:91107

General Information
Structure
MolImage
Molecular Formula
C₆H₄ClIO
Molecular Mass
254.45283
Exact Mass
253.89954043
Charge
0
InChI
InChI=1S/C6H4ClIO/c7-5-2-1-4(8)3-6(5)9/h1-3,9H
InChIKey
NNZXUSFOILSDCS-UHFFFAOYSA-N
Canonic Smiles
Ic1ccc(c(c1)O)Cl
Isomeric Smiles
Oc1c(ccc(c1)I)Cl
Calculated Properties
JChem
Acid pKa
7.334036
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.1963975
LogD (pH = 7.4)
2.8710456
Log P
3.2026696
Molar Refractivity
46.2062
Polarizability
18.16093
Polar Surface Area
20.23
Rotatable Bonds
0
Lipinski's Rule of Five
true
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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