Molecule

ID:87152

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀O₃
Molecular Mass
142.1525
Exact Mass
142.06299418
Charge
0
InChI
InChI=1S/C7H10O3/c1-5-6(7(8)9)3-2-4-10-5/h2-4H2,1H3,(H,8,9)
InChIKey
LPCRMEXGDMZEMF-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1=C(C)OCCC1
Isomeric Smiles
O1C(=C(C(=O)O)CCC1)C
Calculated Properties
JChem
Acid pKa
4.8290586
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.26003253
LogD (pH = 7.4)
-2.0324874
Log P
0.49428785
Molar Refractivity
37.0659
Polarizability
13.908292
Polar Surface Area
46.53
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
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Molecule Details
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References
Bioactivity
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