Molecule

ID:60865

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁N₅
Molecular Mass
201.22784
Exact Mass
201.10144538
Charge
0
InChI
InChI=1S/C10H11N5/c11-9-13-7-14-10(15-9)12-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H3,11,12,13,14,15)
InChIKey
VWWIROAZLXEHMJ-UHFFFAOYSA-N
Canonic Smiles
Nc1ncnc(n1)NCc1ccccc1
Isomeric Smiles
n1c(ncnc1N)NCc1ccccc1
Calculated Properties
JChem
Acid pKa
14.106615
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
1.3066922
LogD (pH = 7.4)
1.57678
Log P
1.5816294
Molar Refractivity
61.9204
Polarizability
21.36043
Polar Surface Area
76.72
Rotatable Bonds
3
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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