Molecule

ID:75203

General Information
Structure
MolImage
Molecular Formula
C₉H₈Cl₂O
Molecular Mass
203.06522
Exact Mass
201.99522024
Charge
0
InChI
InChI=1S/C9H8Cl2O/c10-6-5-9(12)7-1-3-8(11)4-2-7/h1-4H,5-6H2
InChIKey
AYFJBHFMQODYBC-UHFFFAOYSA-N
Canonic Smiles
ClCCC(=O)c1ccc(cc1)Cl
Isomeric Smiles
Clc1ccc(cc1)C(=O)CCCl
Calculated Properties
JChem
Acid pKa
15.360088
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.9092946
LogD (pH = 7.4)
2.9092946
Log P
2.9092946
Molar Refractivity
50.7182
Polarizability
19.624657
Polar Surface Area
17.07
Rotatable Bonds
3
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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