Molecule
ID:93938
General Information
Molecular Formula
C₉H₇FO
Molecular Mass
150.1496832
Exact Mass
150.04809306
Charge
0
InChI
InChI=1S/C9H7FO/c10-9-5-3-8(4-6-9)2-1-7-11/h3-6,11H,7H2
InChIKey
ZROXSIPANMVWHB-UHFFFAOYSA-N
Canonic Smiles
OCC#Cc1ccc(cc1)F
Isomeric Smiles
Fc1ccc(cc1)C#CCO
Calculated Properties
JChem
Acid pKa
14.122477
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.8224419
LogD (pH = 7.4)
1.8224419
Log P
1.8224419
Molar Refractivity
38.7222
Polarizability
15.029734
Polar Surface Area
20.23
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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