Molecule

ID:79235

General Information
Structure
MolImage
Molecular Formula
C₁₉H₃₀O₃
Molecular Mass
306.4397
Exact Mass
306.21949482
Charge
0
InChI
InChI=1S/C19H30O3/c1-2-3-4-5-6-7-8-9-10-11-16-22-18-14-12-17(13-15-18)19(20)21/h12-15H,2-11,16H2,1H3,(H,20,21)
InChIKey
ALQLYJHDBAKLBB-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCOc1ccc(cc1)C(=O)O
Isomeric Smiles
OC(=O)c1ccc(cc1)OCCCCCCCCCCCC
Calculated Properties
JChem
Acid pKa
4.3624945
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
5.1873145
LogD (pH = 7.4)
3.4369779
Log P
6.3536057
Molar Refractivity
90.459
Polarizability
35.427048
Polar Surface Area
46.53
Rotatable Bonds
13
Lipinski's Rule of Five
false
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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