Molecule

ID:119275

General Information
Structure
MolImage
Molecular Formula
C₂₃H₃₄O₄
Molecular Mass
374.51366
Exact Mass
374.24570957
Charge
0
InChI
InChI=1S/C23H34O4/c1-14(24)23(26)12-9-20-18-6-5-16-13-17(27-15(2)25)7-10-21(16,3)19(18)8-11-22(20,23)4/h5,17-20,26H,6-13H2,1-4H3/t17-,18+,19?,20?,21-,22-,23-/m0/s1
InChIKey
IQCNQJXIOWBNAT-JGSJTDLYSA-N
Canonic Smiles
CC(=O)O[C@H]1CC[C@]2(C(=CC[C@@H]3C2CC[C@]2(C3CC[C@]2(O)C(=O)C)C)C1)C
Isomeric Smiles
[C@]12([C@](CCC1[C@H]1C([C@@]3(C(=CC1)C[C@@H](OC(=O)C)CC3)C)CC2)(C(=O)C)O)C
Calculated Properties
JChem
Acid pKa
12.699632
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.2750587
LogD (pH = 7.4)
3.2750566
Log P
3.2750587
Molar Refractivity
104.3082
Polarizability
41.39284
Polar Surface Area
63.6
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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