Molecule

ID:13215

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₃FN₂
Molecular Mass
216.2541232
Exact Mass
216.10627665
Charge
0
InChI
InChI=1S/C13H13FN2/c14-13-6-2-1-5-12(13)10-16-9-11-4-3-7-15-8-11/h1-8,16H,9-10H2
InChIKey
XRYHMXRWVISSQX-UHFFFAOYSA-N
Canonic Smiles
Fc1ccccc1CNCc1cccnc1
Isomeric Smiles
c1cncc(c1)CNCc1c(cccc1)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.24505284
LogD (pH = 7.4)
1.4889477
Log P
2.1810973
Molar Refractivity
61.9781
Polarizability
23.87476
Polar Surface Area
24.92
Rotatable Bonds
4
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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