Molecule
ID:119543
General Information
Molecular Formula
C₂₄H₃₄O₄
Molecular Mass
386.52436
Exact Mass
386.24570957
Charge
0
InChI
InChI=1S/C24H34O4/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/h13-14,18-20H,6-12H2,1-5H3/t14-,18+,19?,20?,22+,23-,24-/m0/s1
InChIKey
PSGAAPLEWMOORI-OPTPRCPESA-N
Canonic Smiles
O=C1CC[C@]2(C(=C1)[C@@H](C)C[C@@H]1C2CC[C@]2(C1CC[C@]2(OC(=O)C)C(=O)C)C)C
Isomeric Smiles
[C@@]12(C(=CC(=O)CC2)[C@H](C[C@@H]2C1CC[C@@]1([C@@](CCC21)(OC(=O)C)C(=O)C)C)C)C
Calculated Properties
JChem
Acid pKa
17.821218
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.129324
LogD (pH = 7.4)
4.129324
Log P
4.129324
Molar Refractivity
107.8054
Polarizability
42.687153
Polar Surface Area
60.44
Rotatable Bonds
3
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
No Data Available
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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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