Molecule

ID:119364

General Information
Structure
MolImage
Molecular Formula
C₂₃H₃₂O₃
Molecular Mass
356.49838
Exact Mass
356.23514488
Charge
0
InChI
InChI=1S/C23H32O3/c1-21-10-6-16(25-3)14-15(21)4-5-17-18(21)7-11-22(2)19(17)8-12-23(22)13-9-20(24)26-23/h4,14,17-19H,5-13H2,1-3H3/t17-,18+,19+,21+,22+,23-/m1/s1
InChIKey
OKMHWOWJDRPCCT-PZCAJWILSA-N
Canonic Smiles
COC1=CC2=CC[C@@H]3[C@@H]([C@]2(CC1)C)CC[C@]1([C@H]3CC[C@]21CCC(=O)O2)C
Isomeric Smiles
[C@@]12(C(=CC[C@@H]3[C@@H]1CC[C@@]1([C@@]4(OC(=O)CC4)CC[C@@H]31)C)C=C(CC2)OC)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.7009444
LogD (pH = 7.4)
3.7009444
Log P
3.7009444
Molar Refractivity
103.6622
Polarizability
40.41988
Polar Surface Area
35.53
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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