Molecule

ID:76362

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀O₃
Molecular Mass
142.1525
Exact Mass
142.06299418
Charge
0
InChI
InChI=1S/C7H10O3/c8-6-3-1-2-5(4-6)7(9)10/h5H,1-4H2,(H,9,10)
InChIKey
WATQNARHYZXAGY-UHFFFAOYSA-N
Canonic Smiles
O=C1CCCC(C1)C(=O)O
Isomeric Smiles
O=C(C1CC(=O)CCC1)O
Calculated Properties
JChem
Acid pKa
4.2930346
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.5201271
LogD (pH = 7.4)
-2.2571154
Log P
0.71093875
Molar Refractivity
34.4873
Polarizability
13.554647
Polar Surface Area
54.37
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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