Molecule

ID:61098

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₈N₆
Molecular Mass
306.36502
Exact Mass
306.15929461
Charge
0
InChI
InChI=1S/C17H18N6/c1-22(2)12-9-7-11(8-10-12)15-20-16(18)21-17-19-13-5-3-4-6-14(13)23(15)17/h3-10,15H,1-2H3,(H3,18,19,20,21)
InChIKey
VSDUZOLYIPLEJP-UHFFFAOYSA-N
Canonic Smiles
NC1=NC(n2c(N1)nc1c2cccc1)c1ccc(cc1)N(C)C
Isomeric Smiles
n12c(NC(=NC1c1ccc(N(C)C)cc1)N)nc1c2cccc1
Calculated Properties
JChem
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
1.4853774
LogD (pH = 7.4)
3.0193822
Log P
3.3519692
Molar Refractivity
91.7639
Polarizability
35.015667
Polar Surface Area
71.47
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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