Molecule

ID:31661

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄FN
Molecular Mass
167.2232632
Exact Mass
167.11102767
Charge
0
InChI
InChI=1S/C10H14FN/c1-10(2,7-12)8-4-3-5-9(11)6-8/h3-6H,7,12H2,1-2H3
InChIKey
UOESZEQYGLLTRN-UHFFFAOYSA-N
Canonic Smiles
NCC(c1cccc(c1)F)(C)C
Isomeric Smiles
c1(C(CN)(C)C)cc(F)ccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.7106906
LogD (pH = 7.4)
0.25813332
Log P
2.273351
Molar Refractivity
48.3725
Polarizability
18.78883
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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