Molecule

ID:119072

General Information
Structure
MolImage
Molecular Formula
C₂₃H₃₄O₃
Molecular Mass
358.51426
Exact Mass
358.25079495
Charge
0
InChI
InChI=1S/C23H34O3/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/h7,16-18,20-21H,5-6,8-13H2,1-4H3/t16-,17-,18-,20-,21-,22-,23+/m0/s1
InChIKey
YFMSIVMSEGIVCP-HTVUKHQJSA-N
Canonic Smiles
CC(=O)O[C@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC=C2C(=O)C)C)C
Isomeric Smiles
[C@]12(C(=CC[C@H]1[C@H]1[C@@H]([C@@]3([C@H](C[C@@H](OC(=O)C)CC3)CC1)C)CC2)C(=O)C)C
Calculated Properties
JChem
Acid pKa
19.65737
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.278451
LogD (pH = 7.4)
4.278451
Log P
4.278451
Molar Refractivity
102.9341
Polarizability
40.77005
Polar Surface Area
43.37
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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