Molecule
ID:132784
General Information
Molecular Formula
C₂₄H₃₈O₃
Molecular Mass
374.55672
Exact Mass
374.28209508
Charge
0
InChI
InChI=1S/C24H38O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h5,15,17-21,25H,4,6-14H2,1-3H3,(H,26,27)
InChIKey
HIAJCGFYHIANNA-UHFFFAOYSA-N
Canonic Smiles
OC1CCC2(C(=CCC3C2CCC2(C3CCC2C(CCC(=O)O)C)C)C1)C
Isomeric Smiles
CC(CCC(=O)O)C1CCC2C1(CCC1C2CC=C2C1(CCC(C2)O)C)C
Calculated Properties
JChem
Acid pKa
4.8310113
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.8637762
LogD (pH = 7.4)
2.0914695
Log P
4.616491
Molar Refractivity
108.5313
Polarizability
42.904156
Polar Surface Area
57.53
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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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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