Molecule

ID:90959

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀O₃
Molecular Mass
142.1525
Exact Mass
142.06299418
Charge
0
InChI
InChI=1S/C7H10O3/c8-6-3-1-5(2-4-6)7(9)10/h5H,1-4H2,(H,9,10)
InChIKey
OWLXUYGCLDGHJJ-UHFFFAOYSA-N
Canonic Smiles
O=C1CCC(CC1)C(=O)O
Isomeric Smiles
O=C(C1CCC(=O)CC1)O
Calculated Properties
JChem
LogD (pH = 7.4)
-2.25
LogD (pH = 5.5)
-0.51
Log P
0.71
Rotatable Bonds
1
H Donor
1
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
4.30
Polar Surface Area
54.37
Polarizability
14.13
Molar Refractivity
34.49
LOG S
-0.17
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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