Molecule

ID:112924

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₄N₄O₂
Molecular Mass
292.37666
Exact Mass
292.18992603
Charge
0
InChI
InChI=1S/C15H24N4O2/c1-15(2,3)21-14(20)19-9-6-11(7-10-19)18-12-5-4-8-17-13(12)16/h4-5,8,11,18H,6-7,9-10H2,1-3H3,(H2,16,17)
InChIKey
NRYFFLQIEZSPBO-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCC(CC1)Nc1cccnc1N)OC(C)(C)C
Isomeric Smiles
C(=O)(N1CCC(Nc2c(nccc2)N)CC1)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.36605427
LogD (pH = 7.4)
0.7205427
Log P
0.92083436
Molar Refractivity
84.2603
Polarizability
31.310774
Polar Surface Area
80.48
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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