Molecule

ID:1311

General Information
Structure
MolImage
Molecular Formula
C₁₉H₃₀O₂
Molecular Mass
290.4403
Exact Mass
290.2245802
Charge
0
InChI
InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,13-17,20-21H,4-11H2,1-2H3
InChIKey
QADHLRWLCPCEKT-UHFFFAOYSA-N
Canonic Smiles
OC1CCC2(C(=CCC3C2CCC2(C3CCC2O)C)C1)C
Isomeric Smiles
OC1C2(C(C3C(C4(C(=CC3)CC(O)CC4)C)CC2)CC1)C
Calculated Properties
JChem
Acid pKa
18.20429
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.7981772
LogD (pH = 7.4)
2.7981772
Log P
2.7981772
Molar Refractivity
85.4812
Polarizability
33.808178
Polar Surface Area
40.46
Rotatable Bonds
0
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
3.42
LOG S
-3.72
Solubility (Water)
5.50e-02 g/l
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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