Molecule

ID:25945

General Information
Structure
Molecular Formula
C₁₄H₁₁ClO₂
Molecular Mass
246.68894
Exact Mass
246.04475727
Charge
0
InChI
InChI=1S/C14H11ClO2/c15-13-7-3-1-6-12(13)10-17-14-8-4-2-5-11(14)9-16/h1-9H,10H2
InChIKey
DNLXVAPVRJZHFU-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccccc1OCc1ccccc1Cl
Isomeric Smiles
c1(COc2c(C=O)cccc2)c(Cl)cccc1
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
26.196115
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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