Molecule

ID:85524

General Information
Structure
Molecular Formula
C₇H₃Cl₃O
Molecular Mass
209.45712
Exact Mass
207.92494776
Charge
0
InChI
InChI=1S/C7H3Cl3O/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H
InChIKey
JBLIDPPHFGWTKU-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1c(Cl)cccc1Cl
Isomeric Smiles
O=C(c1c(cccc1Cl)Cl)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.3722477
LogD (pH = 7.4)
3.3722477
Log P
3.3722477
Molar Refractivity
46.7823
Polarizability
17.990595
Polar Surface Area
17.07
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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