Molecule

ID:18853

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉ClO₂
Molecular Mass
208.64096
Exact Mass
208.02910721
Charge
0
InChI
InChI=1S/C11H9ClO2/c1-6-3-4-9-8(5-6)7(2)10(14-9)11(12)13/h3-5H,1-2H3
InChIKey
RUWQVSWMIOZFIL-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc2c(c1)c(C)c(o2)C(=O)Cl
Isomeric Smiles
c1(c(c2c(o1)ccc(c2)C)C)C(=O)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.2701256
LogD (pH = 7.4)
3.2701256
Log P
3.2701256
Molar Refractivity
55.9737
Polarizability
21.987139
Polar Surface Area
30.21
Rotatable Bonds
1
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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