Molecule

ID:14783

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂N₄
Molecular Mass
246.35128
Exact Mass
246.18444672
Charge
0
InChI
InChI=1S/C14H22N4/c1-13(2,3)9-7-11(15)18-12(16-9)8-10(17-18)14(4,5)6/h7-8H,15H2,1-6H3
InChIKey
SAUFGSXNXZLMQE-UHFFFAOYSA-N
Canonic Smiles
Nc1cc(nc2n1nc(c2)C(C)(C)C)C(C)(C)C
Isomeric Smiles
C(c1nc2n(c(c1)N)nc(c2)C(C)(C)C)(C)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.7604446
LogD (pH = 7.4)
3.7749624
Log P
3.7751508
Molar Refractivity
84.3151
Polarizability
28.093115
Polar Surface Area
56.21
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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