Molecule

ID:7935

General Information
Structure
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Molecular Formula
C₇H₅FO
Molecular Mass
124.1124032
Exact Mass
124.032443
Charge
0
InChI
InChI=1S/C7H5FO/c8-7-3-1-2-6(4-7)5-9/h1-5H
InChIKey
PIKNVEVCWAAOMJ-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cccc(c1)F
Isomeric Smiles
c1cc(cc(c1)C=O)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.8284501
LogD (pH = 7.4)
1.8284501
Log P
1.8284501
Molar Refractivity
32.8584
Polarizability
11.903295
Polar Surface Area
17.07
Rotatable Bonds
1
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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