Molecule
ID:37947
General Information
Molecular Formula
C₁₂H₁₆FN
Molecular Mass
193.2605432
Exact Mass
193.12667774
Charge
0
InChI
InChI=1S/C12H16FN/c13-11-6-4-5-10(9-11)12-7-2-1-3-8-14-12/h4-6,9,12,14H,1-3,7-8H2
InChIKey
FKCWIPFGJXWSCL-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc(c1)C1CCCCCN1
Isomeric Smiles
c1(C2NCCCCC2)cc(F)ccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.17353375
LogD (pH = 7.4)
0.7178731
Log P
3.0289984
Molar Refractivity
55.9356
Polarizability
21.819519
Polar Surface Area
12.03
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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