Molecule

ID:114436

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₀FN₅O
Molecular Mass
317.3613032
Exact Mass
317.16518851
Charge
0
InChI
InChI=1S/C16H20FN5O/c17-13-1-3-14(4-2-13)21-6-8-22(9-7-21)15-11-16(20-12-19-15)23-10-5-18/h1-4,11-12H,5-10,18H2
InChIKey
GFVRIXUFFHDVDU-UHFFFAOYSA-N
Canonic Smiles
NCCOc1ncnc(c1)N1CCN(CC1)c1ccc(cc1)F
Isomeric Smiles
c1(N2CCN(c3ccc(cc3)F)CC2)cc(ncn1)OCCN
Calculated Properties
JChem
H Acceptors
6
H Donor
1
LogD (pH = 5.5)
-0.7124474
LogD (pH = 7.4)
0.41849387
Log P
2.272981
Molar Refractivity
88.9559
Polarizability
32.61549
Polar Surface Area
67.51
Rotatable Bonds
5
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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