Molecule
ID:79398
General Information
Molecular Formula
C₂₃H₃₀O₂
Molecular Mass
338.4831
Exact Mass
338.2245802
Charge
0
InChI
InChI=1S/C23H30O2/c1-14-7-6-8-23(13-14,19-9-15(2)21(24)16(3)10-19)20-11-17(4)22(25)18(5)12-20/h9-12,14,24-25H,6-8,13H2,1-5H3
InChIKey
JMSYELVGVMWSKN-UHFFFAOYSA-N
Canonic Smiles
CC1CCCC(C1)(c1cc(C)c(c(c1)C)O)c1cc(C)c(c(c1)C)O
Isomeric Smiles
Oc1c(cc(cc1C)C1(c2cc(c(c(c2)C)O)C)CC(C)CCC1)C
Calculated Properties
JChem
Acid pKa
10.47342
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
7.255656
LogD (pH = 7.4)
7.2552953
Log P
7.25566
Molar Refractivity
115.9893
Polarizability
40.30195
Polar Surface Area
40.46
Rotatable Bonds
2
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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