Molecule

ID:83409

General Information
Structure
Molecular Formula
C₉H₉Cl₃O
Molecular Mass
239.52616
Exact Mass
237.97189795
Charge
0
InChI
InChI=1S/C9H9Cl3O/c1-13-8(9(10,11)12)7-5-3-2-4-6-7/h2-6,8H,1H3
InChIKey
JNRMPRMOUOJGNU-UHFFFAOYSA-N
Canonic Smiles
COC(C(Cl)(Cl)Cl)c1ccccc1
Isomeric Smiles
ClC(C(c1ccccc1)OC)(Cl)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.4839456
LogD (pH = 7.4)
3.4839456
Log P
3.4839456
Molar Refractivity
57.2498
Polarizability
22.121687
Polar Surface Area
9.23
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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
Bioactivity
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