Molecule

ID:26811

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₇N₃
Molecular Mass
215.29418
Exact Mass
215.14224756
Charge
0
InChI
InChI=1S/C13H17N3/c1-9-4-6-12(7-5-9)8-16-11(3)13(14)10(2)15-16/h4-7H,8,14H2,1-3H3
InChIKey
NMHFSRKAYXYGFP-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)Cn1nc(c(c1C)N)C
Isomeric Smiles
n1(nc(c(c1C)N)C)Cc1ccc(cc1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.1400893
LogD (pH = 7.4)
2.1409943
Log P
2.141006
Molar Refractivity
79.0568
Polarizability
24.921741
Polar Surface Area
43.84
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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