Molecule

ID:118727

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅N₅
Molecular Mass
253.3024
Exact Mass
253.13274551
Charge
0
InChI
InChI=1S/C14H15N5/c1-9-8-12(17-15)19-14(16-9)13(10(2)18-19)11-6-4-3-5-7-11/h3-8,17H,15H2,1-2H3
InChIKey
QBQHYYBIXUSPFS-UHFFFAOYSA-N
Canonic Smiles
NNc1cc(C)nc2n1nc(c2c1ccccc1)C
Isomeric Smiles
n12c(c(c(n1)C)c1ccccc1)nc(cc2NN)C
Calculated Properties
JChem
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.9648086
LogD (pH = 7.4)
2.0427816
Log P
2.0438719
Molar Refractivity
87.0528
Polarizability
29.446224
Polar Surface Area
68.24
Rotatable Bonds
2
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
No Data Available
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Molecule Details
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References
Bioactivity
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