Molecule

ID:21380

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀FN
Molecular Mass
139.1701032
Exact Mass
139.07972755
Charge
0
InChI
InChI=1S/C8H10FN/c1-6(10)7-4-2-3-5-8(7)9/h2-6H,10H2,1H3/t6-/m0/s1
InChIKey
DIWHJJUFVGEXGS-LURJTMIESA-N
Canonic Smiles
C[C@@H](c1ccccc1F)N
Isomeric Smiles
c1(c(cccc1)F)[C@H](C)N
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.2986072
LogD (pH = 7.4)
-0.1699238
Log P
1.6582912
Molar Refractivity
39.1666
Polarizability
15.180352
Polar Surface Area
26.02
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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