Molecule

ID:106681

General Information
Structure
MolImage
Molecular Formula
C₇H₇Cl₃O
Molecular Mass
213.48888
Exact Mass
211.95624788
Charge
0
InChI
InChI=1S/C6H6O.CHCl3/c7-6-4-2-1-3-5-6;2-1(3)4/h1-5,7H;1H
InChIKey
YTRQFSDWAXHJCC-UHFFFAOYSA-N
Canonic Smiles
Oc1ccccc1.ClC(Cl)Cl
Isomeric Smiles
Oc1ccccc1.ClC(Cl)Cl
Calculated Properties
JChem
Acid pKa
10.01615
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.6696674
LogD (pH = 7.4)
1.6686368
Log P
1.6696805
Molar Refractivity
28.038898
Polarizability
10.938309
Polar Surface Area
20.23
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
No Data Available
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Molecule Details
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References
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Bioactivity
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