Molecule

ID:52880

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀O₃
Molecular Mass
130.1418
Exact Mass
130.06299418
Charge
0
InChI
InChI=1S/C6H10O3/c7-5(8)6(9)3-1-2-4-6/h9H,1-4H2,(H,7,8)
InChIKey
JJABOWZNFOCHMN-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1(O)CCCC1
Isomeric Smiles
C1(CCCC1)(C(=O)O)O
Calculated Properties
JChem
Acid pKa
3.9338183
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.030861
LogD (pH = 7.4)
-2.653536
Log P
0.5422553
Molar Refractivity
30.7989
Polarizability
12.270841
Polar Surface Area
57.53
Rotatable Bonds
1
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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