Molecule
ID:124343
General Information
Molecular Formula
C₁₄H₂₀N₄O
Molecular Mass
260.3348
Exact Mass
260.16371128
Charge
0
InChI
InChI=1S/C14H20N4O/c1-11-12(13(19)6-9-17(2)3)10-15-14(16-11)18-7-4-5-8-18/h6,9-10H,4-5,7-8H2,1-3H3/b9-6+
InChIKey
XLZOAYCPEILUDG-RMKNXTFCSA-N
Canonic Smiles
CN(/C=C/C(=O)c1cnc(nc1C)N1CCCC1)C
Isomeric Smiles
c1(nc(c(C(=O)/C=C/N(C)C)cn1)C)N1CCCC1
Calculated Properties
JChem
Acid pKa
17.054405
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
0.5952236
LogD (pH = 7.4)
1.2554721
Log P
1.2757084
Molar Refractivity
77.9844
Polarizability
28.239452
Polar Surface Area
49.33
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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