Molecule

ID:116678

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₇N₇
Molecular Mass
295.34238
Exact Mass
295.15454358
Charge
0
InChI
InChI=1S/C15H17N7/c1-11-2-4-12(5-3-11)22-15-13(19-20-22)14(17-10-18-15)21-8-6-16-7-9-21/h2-5,10,16H,6-9H2,1H3
InChIKey
VXZWOXHGSUNODW-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)n1nnc2c1ncnc2N1CCNCC1
Isomeric Smiles
n1(nnc2c1ncnc2N1CCNCC1)c1ccc(cc1)C
Calculated Properties
JChem
H Acceptors
6
H Donor
1
LogD (pH = 5.5)
-0.7032375
LogD (pH = 7.4)
0.9080835
Log P
2.2068627
Molar Refractivity
85.888
Polarizability
32.657696
Polar Surface Area
71.76
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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