Molecule

ID:60867

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃N₅
Molecular Mass
215.25442
Exact Mass
215.11709544
Charge
0
InChI
InChI=1S/C11H13N5/c12-10-14-8-15-11(16-10)13-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H3,12,13,14,15,16)
InChIKey
FGPGUEZCWJZEQB-UHFFFAOYSA-N
Canonic Smiles
Nc1ncnc(n1)NCCc1ccccc1
Isomeric Smiles
n1c(ncnc1N)NCCc1ccccc1
Calculated Properties
JChem
Acid pKa
14.974527
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
1.5763736
LogD (pH = 7.4)
1.8649774
Log P
1.8702905
Molar Refractivity
66.6754
Polarizability
23.12639
Polar Surface Area
76.72
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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