Molecule

ID:30035

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₆O₃
Molecular Mass
232.27504
Exact Mass
232.10994437
Charge
0
InChI
InChI=1S/C14H16O3/c15-12-6-7-13(14(16)17)11(9-12)8-10-4-2-1-3-5-10/h1-5,11,13H,6-9H2,(H,16,17)
InChIKey
LCVCSJWXLZGDMI-UHFFFAOYSA-N
Canonic Smiles
O=C1CCC(C(C1)Cc1ccccc1)C(=O)O
Isomeric Smiles
C1(C(C(=O)O)CCC(=O)C1)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
4.505008
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.5407552
LogD (pH = 7.4)
-0.22859642
Log P
2.5763304
Molar Refractivity
63.7319
Polarizability
24.916805
Polar Surface Area
54.37
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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