Molecule

ID:58726

General Information
Structure
MolImage
Molecular Formula
C₈H₁₄FN
Molecular Mass
143.2018632
Exact Mass
143.11102767
Charge
0
InChI
InChI=1S/C8H14FN/c1-3-5-8(10,7-9)6-4-2/h3-4H,1-2,5-7,10H2
InChIKey
NHZMTHJZWMZUTO-UHFFFAOYSA-N
Canonic Smiles
C=CCC(CC=C)(CF)N
Isomeric Smiles
C(C(N)(CC=C)CC=C)F
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.3759164
LogD (pH = 7.4)
-0.34444997
Log P
1.5988888
Molar Refractivity
41.9142
Polarizability
16.18491
Polar Surface Area
26.02
Rotatable Bonds
5
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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