Molecule

ID:119080

General Information
Structure
Molecular Formula
C₂₃H₃₂O₃
Molecular Mass
356.49838
Exact Mass
356.23514488
Charge
0
InChI
InChI=1S/C23H32O3/c1-14(24)19-7-8-20-18-6-5-16-13-17(26-15(2)25)9-11-22(16,3)21(18)10-12-23(19,20)4/h5,7,17-18,20-21H,6,8-13H2,1-4H3/t17-,18-,20-,21-,22-,23+/m0/s1
InChIKey
MZWRIOUCMXPLKV-RFOVXIPZSA-N
Canonic Smiles
CC(=O)O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC=C2C(=O)C)C)C1)C
Isomeric Smiles
[C@]12(C(=CC[C@H]1[C@H]1[C@@H]([C@@]3(C(=CC1)C[C@@H](OC(=O)C)CC3)C)CC2)C(=O)C)C
Calculated Properties
JChem
Acid pKa
19.657377
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.8728716
LogD (pH = 7.4)
3.8728716
Log P
3.8728716
Molar Refractivity
103.7841
Polarizability
40.529503
Polar Surface Area
43.37
Rotatable Bonds
3
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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