Molecule

ID:136208

General Information
Structure
MolImage
Molecular Formula
C₈H₇FO
Molecular Mass
138.1389832
Exact Mass
138.04809306
Charge
0
InChI
InChI=1S/C8H7FO/c9-7-3-1-2-6(4-7)8-5-10-8/h1-4,8H,5H2/t8-/m0/s1
InChIKey
HNBRZCKMGQHNJA-QMMMGPOBSA-N
Canonic Smiles
Fc1cccc(c1)[C@@H]1CO1
Isomeric Smiles
c1cc(cc(c1)F)[C@@H]1CO1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.8799666
LogD (pH = 7.4)
1.8799666
Log P
1.8799666
Molar Refractivity
35.5427
Polarizability
13.641691
Polar Surface Area
12.53
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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