Molecule
ID:83840
General Information
Molecular Formula
C₂₅H₂₄O₃
Molecular Mass
372.45626
Exact Mass
372.17254463
Charge
0
InChI
InChI=1S/C25H24O3/c1-17(2)19-12-14-20(15-13-19)24-25(28-24)23(26)21-10-6-7-11-22(21)27-16-18-8-4-3-5-9-18/h3-15,17,24-25H,16H2,1-2H3
InChIKey
HBCKFPHXVUCAMA-UHFFFAOYSA-N
Canonic Smiles
O=C(C1OC1c1ccc(cc1)C(C)C)c1ccccc1OCc1ccccc1
Isomeric Smiles
O1C(C1c1ccc(cc1)C(C)C)C(=O)c1ccccc1OCc1ccccc1
Calculated Properties
JChem
Acid pKa
15.43886
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
5.993254
LogD (pH = 7.4)
5.993254
Log P
5.993254
Molar Refractivity
110.2399
Polarizability
43.035564
Polar Surface Area
38.83
Rotatable Bonds
7
Lipinski's Rule of Five
false
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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