Molecule

ID:129011

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₉N₅
Molecular Mass
317.38766
Exact Mass
317.16404563
Charge
0
InChI
InChI=1S/C19H19N5/c1-3-7-16-14(5-1)13-15-6-2-4-8-17(15)24-18(16)21-22-19(24)23-11-9-20-10-12-23/h1-8,20H,9-13H2
InChIKey
GXFWOMYQHNODFA-UHFFFAOYSA-N
Canonic Smiles
N1CCN(CC1)c1nnc2n1c1ccccc1Cc1c2cccc1
Isomeric Smiles
n1nc(N2CCNCC2)n2c3ccccc3Cc3ccccc3c12
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.32404265
LogD (pH = 7.4)
1.3953819
Log P
2.785
Molar Refractivity
117.6607
Polarizability
37.17165
Polar Surface Area
45.98
Rotatable Bonds
1
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
References
Bioactivity
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