Molecule

ID:19005

General Information
Structure
Molecular Formula
C₁₀H₁₄FN
Molecular Mass
167.2232632
Exact Mass
167.11102767
Charge
0
InChI
InChI=1S/C10H14FN/c1-7(2)10(12)8-3-5-9(11)6-4-8/h3-7,10H,12H2,1-2H3
InChIKey
DKHSXWXHXFRKON-UHFFFAOYSA-N
Canonic Smiles
NC(c1ccc(cc1)F)C(C)C
Isomeric Smiles
C(c1ccc(cc1)F)(N)C(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.4622777
LogD (pH = 7.4)
0.26829082
Log P
2.5457864
Molar Refractivity
48.1622
Polarizability
18.864515
Polar Surface Area
26.02
Rotatable Bonds
2
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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