Molecule

ID:47860

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₅FN₂
Molecular Mass
242.2914032
Exact Mass
242.12192671
Charge
0
InChI
InChI=1S/C15H15FN2/c16-13-10-12(17)7-8-15(13)18-9-3-5-11-4-1-2-6-14(11)18/h1-2,4,6-8,10H,3,5,9,17H2
InChIKey
HWMPEABUPUDRSM-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)F)N1CCCc2c1cccc2
Isomeric Smiles
N1(c2c(cc(cc2)N)F)c2c(CCC1)cccc2
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.4051957
LogD (pH = 7.4)
3.4346914
Log P
3.4350808
Molar Refractivity
72.2683
Polarizability
26.564518
Polar Surface Area
29.26
Rotatable Bonds
1
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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