Molecule

ID:61330

General Information
Structure
Molecular Formula
C₁₈H₁₆O₃
Molecular Mass
280.31784
Exact Mass
280.10994437
Charge
0
InChI
InChI=1S/C18H16O3/c1-11(2)13-5-3-12(4-6-13)9-17-18(20)15-8-7-14(19)10-16(15)21-17/h3-11,19H,1-2H3/b17-9-
InChIKey
MOSPYQJGWFNPLZ-MFOYZWKCSA-N
Canonic Smiles
Oc1ccc2c(c1)O/C(=C\c1ccc(cc1)C(C)C)/C2=O
Isomeric Smiles
C\1(=C\c2ccc(cc2)C(C)C)/C(=O)c2c(O1)cc(cc2)O
Calculated Properties
JChem
Acid pKa
7.6524305
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
4.140693
LogD (pH = 7.4)
3.9525347
Log P
4.1437182
Molar Refractivity
83.218
Polarizability
31.321487
Polar Surface Area
46.53
Rotatable Bonds
2
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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