Molecule

ID:59536

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₁ClO₂
Molecular Mass
222.66754
Exact Mass
222.04475727
Charge
0
InChI
InChI=1S/C12H11ClO2/c13-10-3-1-8(2-4-10)9-5-11(14)7-12(15)6-9/h1-4,7,9,14H,5-6H2
InChIKey
DLZDPGBOQGNSNO-UHFFFAOYSA-N
Canonic Smiles
OC1=CC(=O)CC(C1)c1ccc(cc1)Cl
Isomeric Smiles
C1=C(CC(CC1=O)c1ccc(cc1)Cl)O
Calculated Properties
JChem
Acid pKa
8.154284
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.6831698
LogD (pH = 7.4)
2.613716
Log P
2.6841311
Molar Refractivity
60.8354
Polarizability
22.966785
Polar Surface Area
37.3
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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