Molecule

ID:105441

General Information
Structure
MolImage
Molecular Formula
C₂₄H₃₂O₄
Molecular Mass
384.50848
Exact Mass
384.2300595
Charge
0
InChI
InChI=1S/C24H32O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h12-13,18-20H,6-11H2,1-5H3
InChIKey
RQZAXGRLVPAYTJ-UHFFFAOYSA-N
Canonic Smiles
O=C1CCC2(C(=C1)C(=CC1C2CCC2(C1CCC2(OC(=O)C)C(=O)C)C)C)C
Isomeric Smiles
CC(=O)OC1(CCC2C3C=C(C)C4=CC(=O)CCC4(C)C3CCC12C)C(=O)C
Calculated Properties
JChem
Acid pKa
17.826162
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.7237444
LogD (pH = 7.4)
3.7237444
Log P
3.7237444
Molar Refractivity
108.655396
Polarizability
42.444622
Polar Surface Area
60.44
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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