Molecule

ID:131657

General Information
Structure
MolImage
Molecular Formula
C₂₁H₃₄O₂
Molecular Mass
318.49346
Exact Mass
318.25588033
Charge
0
InChI
InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15+,16+,17-,18+,19+,20+,21-/m1/s1
InChIKey
AURFZBICLPNKBZ-GRWISUQFSA-N
Canonic Smiles
O[C@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2C(=O)C)C)C
Isomeric Smiles
CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CC[C@H]2[C@@]1(CC[C@@H](C2)O)C)C
Calculated Properties
JChem
LogD (pH = 7.4)
3.99
LogD (pH = 5.5)
3.99
Log P
3.99
Rotatable Bonds
1
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
-1.36
Polar Surface Area
37.30
Polarizability
38.26
Molar Refractivity
92.91
LOG S
-5.23
Data Source
Names and Identifiers
Registration numbers
Properties
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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