Molecule

ID:108692

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₈O₄
Molecular Mass
310.34382
Exact Mass
310.12050906
Charge
0
InChI
InChI=1S/C19H18O4/c20-17(21)9-11-19(12-10-18(22)23)15-7-3-1-5-13(15)14-6-2-4-8-16(14)19/h1-8H,9-12H2,(H,20,21)(H,22,23)
InChIKey
HVIAEALBBMNFIW-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCC1(CCC(=O)O)c2ccccc2c2c1cccc2
Isomeric Smiles
OC(=O)CCC1(CCC(=O)O)c2ccccc2c2ccccc12
Calculated Properties
JChem
Acid pKa
4.2339673
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.511376
LogD (pH = 7.4)
-2.018919
Log P
3.4638767
Molar Refractivity
96.1263
Polarizability
34.446465
Polar Surface Area
74.6
Rotatable Bonds
6
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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