Molecule

ID:130692

General Information
Structure
MolImage
Molecular Formula
C₂₀H₃₂O₂
Molecular Mass
304.46688
Exact Mass
304.24023026
Charge
0
InChI
InChI=1S/C20H32O2/c1-12-10-14(21)11-13-4-5-15-16-6-7-18(22)19(16,2)9-8-17(15)20(12,13)3/h12-13,15-18,22H,4-11H2,1-3H3/t12-,13-,15-,16-,17-,18-,19-,20-/m0/s1
InChIKey
UXYRZJKIQKRJCF-TZPFWLJSSA-N
Canonic Smiles
O=C1C[C@H](C)[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2O)C)C
Isomeric Smiles
C[C@H]1CC(=O)C[C@H]2[C@]1([C@H]1CC[C@]3([C@H]([C@@H]1CC2)CC[C@@H]3O)C)C
Calculated Properties
JChem
Acid pKa
19.377705
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.6982768
LogD (pH = 7.4)
3.6982768
Log P
3.6982768
Molar Refractivity
88.1517
Polarizability
35.343018
Polar Surface Area
37.3
Rotatable Bonds
0
Lipinski's Rule of Five
true
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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