Molecule

ID:19083

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆FN
Molecular Mass
193.2605432
Exact Mass
193.12667774
Charge
0
InChI
InChI=1S/C12H16FN/c13-11-6-2-1-5-10(11)12(9-14)7-3-4-8-12/h1-2,5-6H,3-4,7-9,14H2
InChIKey
OVIJBJGRNSGENG-UHFFFAOYSA-N
Canonic Smiles
NCC1(CCCC1)c1ccccc1F
Isomeric Smiles
c1(C2(CN)CCCC2)c(F)cccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.27345374
LogD (pH = 7.4)
0.77380866
Log P
2.6987624
Molar Refractivity
55.7723
Polarizability
21.744755
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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