Molecule

ID:5286

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈O₄
Molecular Mass
202.24752
Exact Mass
202.12050906
Charge
0
InChI
InChI=1S/C10H18O4/c11-9(12)7-5-3-1-2-4-6-8-10(13)14/h1-8H2,(H,11,12)(H,13,14)
InChIKey
CXMXRPHRNRROMY-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCCCCCCCC(=O)O
Isomeric Smiles
C(=O)(O)CCCCCCCCC(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-2.43
LogD (pH = 5.5)
1.06
Log P
2.27
Rotatable Bonds
9
H Donor
2
H Acceptors
4
Lipinski's Rule of Five
true
Acid pKa
4.72
Polar Surface Area
74.60
Polarizability
22.60
Molar Refractivity
51.14
LOG S
-1.96
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation