Molecule

ID:47858

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₅FN₂
Molecular Mass
242.2914032
Exact Mass
242.12192671
Charge
0
InChI
InChI=1S/C15H15FN2/c16-14-9-13(17)5-6-15(14)18-8-7-11-3-1-2-4-12(11)10-18/h1-6,9H,7-8,10,17H2
InChIKey
ARBPHFUDGVSPAY-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)F)N1CCc2c(C1)cccc2
Isomeric Smiles
N1(c2c(cc(cc2)N)F)Cc2c(CC1)cccc2
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.0701034
LogD (pH = 7.4)
3.158179
Log P
3.1594272
Molar Refractivity
73.3256
Polarizability
26.564573
Polar Surface Area
29.26
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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