Molecule

ID:25862

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₁ClO₃
Molecular Mass
250.67764
Exact Mass
250.03967189
Charge
0
InChI
InChI=1S/C13H11ClO3/c1-9-6-10(4-5-13(9)14)16-8-12-3-2-11(7-15)17-12/h2-7H,8H2,1H3
InChIKey
YFCVKBSWUILOON-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(o1)COc1ccc(c(c1)C)Cl
Isomeric Smiles
o1c(ccc1COc1cc(c(cc1)Cl)C)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.3502638
LogD (pH = 7.4)
3.3502638
Log P
3.3502638
Molar Refractivity
65.8322
Polarizability
24.858
Polar Surface Area
39.44
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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