Molecule

ID:98485

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀FN
Molecular Mass
139.1701032
Exact Mass
139.07972755
Charge
0
InChI
InChI=1S/C8H10FN/c1-5-3-7(9)4-6(2)8(5)10/h3-4H,10H2,1-2H3
InChIKey
MPNDLCBMLBACDD-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(C)c(c(c1)C)N
Isomeric Smiles
Nc1c(cc(cc1C)F)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.3076973
LogD (pH = 7.4)
2.3137863
Log P
2.3138645
Molar Refractivity
41.0572
Polarizability
14.652098
Polar Surface Area
26.02
Rotatable Bonds
0
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
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References
Bioactivity
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