Molecule

ID:129129

General Information
Structure
MolImage
Molecular Formula
C₂₃H₃₆O₃
Molecular Mass
360.53014
Exact Mass
360.26644501
Charge
0
InChI
InChI=1S/C23H36O3/c1-4-21(24)26-16-7-9-17-15(14-16)6-8-19-18(17)10-12-22(3)20(19)11-13-23(22,25)5-2/h14,16-20,25H,4-13H2,1-3H3/t16-,17-,18+,19+,20-,22-,23-/m0/s1
InChIKey
ODOMHABFTBNARE-JSDYAUHVSA-N
Canonic Smiles
CCC(=O)O[C@H]1CC[C@H]2C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@]2(O)CC)C
Isomeric Smiles
CCC(=O)O[C@H]1CC[C@@H]2[C@H]3CC[C@]4([C@H]([C@@H]3CCC2=C1)CC[C@]4(CC)O)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.5987973
LogD (pH = 7.4)
4.598798
Log P
4.598798
Molar Refractivity
103.7927
Polarizability
41.31738
Polar Surface Area
46.53
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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