Molecule

ID:121739

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₁FO₂
Molecular Mass
206.2129432
Exact Mass
206.07430781
Charge
0
InChI
InChI=1S/C12H11FO2/c1-9(8-12(14)15)2-3-10-4-6-11(13)7-5-10/h2-8H,1H3,(H,14,15)/b3-2+,9-8+
InChIKey
ICCWCVGICATMKV-VHYPUYLQSA-N
Canonic Smiles
C/C(=C\C(=O)O)/C=C/c1ccc(cc1)F
Isomeric Smiles
C(=C(\C=C\c1ccc(F)cc1)/C)/C(=O)O
Calculated Properties
JChem
Acid pKa
4.387896
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.9066027
LogD (pH = 7.4)
0.15206118
Log P
3.049365
Molar Refractivity
57.8769
Polarizability
21.139963
Polar Surface Area
37.3
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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