Molecule

ID:125554

General Information
Structure
MolImage
Molecular Formula
C₂₀H₃₀O₃
Molecular Mass
318.4504
Exact Mass
318.21949482
Charge
0
InChI
InChI=1S/C20H30O3/c1-4-5-6-7-13-10-17(22)19-15-12-14(21)8-9-16(15)20(2,3)23-18(19)11-13/h10-11,14-16,21-22H,4-9,12H2,1-3H3
InChIKey
AAIHVZNCFQTVCA-UHFFFAOYSA-N
Canonic Smiles
CCCCCc1cc(O)c2c(c1)OC(C1C2CC(O)CC1)(C)C
Isomeric Smiles
OC1CCC2C(C1)c1c(O)cc(CCCCC)cc1OC2(C)C
Calculated Properties
JChem
Acid pKa
10.036514
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
4.6759863
LogD (pH = 7.4)
4.675003
Log P
4.675999
Molar Refractivity
93.0044
Polarizability
36.396194
Polar Surface Area
49.69
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation