Molecule

ID:118317

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀FN₃
Molecular Mass
237.3164032
Exact Mass
237.16412588
Charge
0
InChI
InChI=1S/C13H20FN3/c1-16-6-8-17(9-7-16)13(10-15)11-2-4-12(14)5-3-11/h2-5,13H,6-10,15H2,1H3
InChIKey
SGZLJAMRWOGKGC-UHFFFAOYSA-N
Canonic Smiles
NCC(c1ccc(cc1)F)N1CCN(CC1)C
Isomeric Smiles
N1(C(c2ccc(cc2)F)CN)CCN(CC1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-4.110769
LogD (pH = 7.4)
-1.0184755
Log P
1.1672474
Molar Refractivity
68.4872
Polarizability
26.714596
Polar Surface Area
32.5
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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