Molecule

ID:69590

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆O₄
Molecular Mass
200.23164
Exact Mass
200.10485899
Charge
0
InChI
InChI=1S/C10H16O4/c11-8(12)6-10(7-9(13)14)4-2-1-3-5-10/h1-7H2,(H,11,12)(H,13,14)
InChIKey
YQPCHPBGAALCRT-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CC1(CCCCC1)CC(=O)O
Isomeric Smiles
C1(CCCCC1)(CC(=O)O)CC(=O)O
Calculated Properties
JChem
Acid pKa
4.1377106
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.582658
LogD (pH = 7.4)
-4.0894723
Log P
1.503132
Molar Refractivity
49.1625
Polarizability
19.531307
Polar Surface Area
74.6
Rotatable Bonds
4
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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