Molecule

ID:13415

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆FN
Molecular Mass
193.2605432
Exact Mass
193.12667774
Charge
0
InChI
InChI=1S/C12H16FN/c13-12-8-4-1-5-10(12)9-14-11-6-2-3-7-11/h1,4-5,8,11,14H,2-3,6-7,9H2
InChIKey
RABPPLBEHXEIKW-UHFFFAOYSA-N
Canonic Smiles
Fc1ccccc1CNC1CCCC1
Isomeric Smiles
c1ccc(c(c1)CNC1CCCC1)F
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.09906778
LogD (pH = 7.4)
1.1764184
Log P
3.0289984
Molar Refractivity
55.9356
Polarizability
21.819868
Polar Surface Area
12.03
Rotatable Bonds
3
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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