Molecule

ID:26055

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₁ClO₂
Molecular Mass
246.68894
Exact Mass
246.04475727
Charge
0
InChI
InChI=1S/C14H11ClO2/c15-14-4-2-1-3-12(14)10-17-13-7-5-11(9-16)6-8-13/h1-9H,10H2
InChIKey
GPKGSRNVJGFHKL-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cc1)OCc1ccccc1Cl
Isomeric Smiles
c1(c(Cl)cccc1)COc1ccc(C=O)cc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.8565948
LogD (pH = 7.4)
3.8565948
Log P
3.8565948
Molar Refractivity
68.5226
Polarizability
26.193588
Polar Surface Area
26.3
Rotatable Bonds
4
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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