Molecule

ID:83574

General Information
Structure
MolImage
Molecular Formula
C₂₂H₂₄O₂
Molecular Mass
320.42476
Exact Mass
320.17763001
Charge
0
InChI
InChI=1S/C22H24O2/c23-21(16-15-18-9-3-1-4-10-18)20-13-7-8-14-22(20)24-17-19-11-5-2-6-12-19/h2,5-8,11-16,18H,1,3-4,9-10,17H2
InChIKey
GWHBAELYCNPWES-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccccc1OCc1ccccc1)/C=C/C1CCCCC1
Isomeric Smiles
O(c1ccccc1C(=O)/C=C/C1CCCCC1)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
16.565931
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.842191
LogD (pH = 7.4)
5.842191
Log P
5.842191
Molar Refractivity
99.0082
Polarizability
38.136982
Polar Surface Area
26.3
Rotatable Bonds
6
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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