Molecule

ID:113948

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄O₂
Molecular Mass
214.25976
Exact Mass
214.09937969
Charge
0
InChI
InChI=1S/C14H14O2/c15-10-13-8-4-7-12(14(13)16)9-11-5-2-1-3-6-11/h1-3,5-6,9-10,16H,4,7-8H2/b12-9+
InChIKey
OWSXNQXMLFUBIS-FMIVXFBMSA-N
Canonic Smiles
O=CC1=C(O)/C(=C/c2ccccc2)/CCC1
Isomeric Smiles
C1(=C(C=O)CCC/C/1=C\c1ccccc1)O
Calculated Properties
JChem
Acid pKa
9.054281
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.4534721
LogD (pH = 7.4)
2.444074
Log P
2.4535933
Molar Refractivity
65.7833
Polarizability
24.6227
Polar Surface Area
37.3
Rotatable Bonds
2
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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