Molecule

ID:34135

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₈FN
Molecular Mass
207.2871232
Exact Mass
207.1423278
Charge
0
InChI
InChI=1S/C13H18FN/c14-13-5-3-11(4-6-13)1-2-12-7-9-15-10-8-12/h3-6,12,15H,1-2,7-10H2
InChIKey
KXKCRYHRRIFFKX-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)CCC1CCNCC1
Isomeric Smiles
C1C(CCNC1)CCc1ccc(cc1)F
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.12143816
LogD (pH = 7.4)
0.33488747
Log P
3.11015
Molar Refractivity
60.8974
Polarizability
23.588926
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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