Molecule

ID:101448

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₁ClO₂
Molecular Mass
246.68894
Exact Mass
246.04475727
Charge
0
InChI
InChI=1S/C14H11ClO2/c15-14(16)12-6-4-5-11(9-12)10-17-13-7-2-1-3-8-13/h1-9H,10H2
InChIKey
SLHJSNXMTGDBFG-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1cccc(c1)COc1ccccc1
Isomeric Smiles
C(=O)(c1cc(COc2ccccc2)ccc1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.7309601
LogD (pH = 7.4)
3.7309601
Log P
3.7309601
Molar Refractivity
68.2485
Polarizability
26.1745
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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