Molecule

ID:78671

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₄O₃
Molecular Mass
266.29126
Exact Mass
266.09429431
Charge
0
InChI
InChI=1S/C17H14O3/c1-12-2-6-14(7-3-12)15(18)8-4-13-5-9-16-17(10-13)20-11-19-16/h2-10H,11H2,1H3
InChIKey
JWGMSRAHCNKMBC-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)C(=O)/C=C/c1ccc2c(c1)OCO2
Isomeric Smiles
O1c2c(ccc(c2)/C=C/C(=O)c2ccc(cc2)C)OC1
Calculated Properties
JChem
Acid pKa
17.041483
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.0269804
LogD (pH = 7.4)
4.0269804
Log P
4.0269804
Molar Refractivity
77.6851
Polarizability
29.557848
Polar Surface Area
35.53
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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