Molecule

ID:98916

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₈FN₅
Molecular Mass
287.3353232
Exact Mass
287.15462382
Charge
0
InChI
InChI=1S/C15H18FN5/c1-11-10-14(19-15(17)18-11)21-8-6-20(7-9-21)13-4-2-12(16)3-5-13/h2-5,10H,6-9H2,1H3,(H2,17,18,19)
InChIKey
YRROOFFSKFANIU-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)N1CCN(CC1)c1cc(C)nc(n1)N
Isomeric Smiles
N1(c2nc(nc(c2)C)N)CCN(c2ccc(cc2)F)CC1
Calculated Properties
JChem
Acid pKa
17.018993
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
0.7759067
LogD (pH = 7.4)
1.9238
Log P
2.6144087
Molar Refractivity
83.4673
Polarizability
29.623405
Polar Surface Area
58.28
Rotatable Bonds
2
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
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Molecule Details
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References
Bioactivity
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