Molecule
ID:100285
General Information
Molecular Formula
C₈H₉FO
Molecular Mass
140.1548632
Exact Mass
140.06374313
Charge
0
InChI
InChI=1S/C8H9FO/c1-5-6(2)8(10)4-3-7(5)9/h3-4,10H,1-2H3
InChIKey
DHLAUQGFPHIULU-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc(c(c1C)C)F
Isomeric Smiles
Oc1c(c(c(cc1)F)C)C
Calculated Properties
JChem
Acid pKa
9.730295
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.8391998
LogD (pH = 7.4)
2.837211
Log P
2.8392253
Molar Refractivity
38.3377
Polarizability
14.13325
Polar Surface Area
20.23
Rotatable Bonds
0
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
No Data Available
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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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