Molecule

ID:131722

General Information
Structure
MolImage
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/h15-16,18-21H,4-14H2,1-3H3,(H,26,27)/t15-,16-,18+,19-,20+,21+,23+,24-/m1/s1
InChIKey
KIQFUORWRVZTHT-OPTMKGCMSA-N
Canonic Smiles
OC(=O)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2[C@]1(C)CCC(=O)C2)C
Isomeric Smiles
C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CC[C@H]2[C@@]1(CCC(=O)C2)C)C
Calculated Properties
JChem
LogD (pH = 7.4)
2.67
LogD (pH = 5.5)
4.44
Log P
5.23
Rotatable Bonds
4
H Donor
1
H Acceptors
3
Lipinski's Rule of Five
false
Acid pKa
4.79
Polar Surface Area
54.37
Polarizability
44.94
Molar Refractivity
106.65
LOG S
-6.78
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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