Molecule

ID:61336

General Information
Structure
Molecular Formula
C₁₉H₁₈O₃
Molecular Mass
294.34442
Exact Mass
294.12559444
Charge
0
InChI
InChI=1S/C19H18O3/c1-19(2,3)13-6-4-12(5-7-13)10-17-18(21)15-9-8-14(20)11-16(15)22-17/h4-11,20H,1-3H3/b17-10-
InChIKey
RWJCELGQGGFLBR-YVLHZVERSA-N
Canonic Smiles
Oc1ccc2c(c1)O/C(=C\c1ccc(cc1)C(C)(C)C)/C2=O
Isomeric Smiles
C\1(=C\c2ccc(C(C)(C)C)cc2)/C(=O)c2c(O1)cc(cc2)O
Calculated Properties
JChem
Acid pKa
7.6524305
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
4.44074
LogD (pH = 7.4)
4.2525816
Log P
4.443765
Molar Refractivity
87.6931
Polarizability
33.164528
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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