Molecule

ID:15654

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₃FN₂
Molecular Mass
216.2541232
Exact Mass
216.10627665
Charge
0
InChI
InChI=1S/C13H13FN2/c14-13-3-1-11(2-4-13)9-16-10-12-5-7-15-8-6-12/h1-8,16H,9-10H2
InChIKey
JRQUWLWSOCBVKB-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)CNCc1ccncc1
Isomeric Smiles
c1(ccc(cc1)CNCc1ccncc1)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.6819107
LogD (pH = 7.4)
0.9621191
Log P
2.1810973
Molar Refractivity
61.9781
Polarizability
23.874655
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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