Molecule

ID:114299

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₆N₄
Molecular Mass
240.30364
Exact Mass
240.13749653
Charge
0
InChI
InChI=1S/C14H16N4/c1-2-4-12(5-3-1)13-6-7-14(17-16-13)18-10-8-15-9-11-18/h1-7,15H,8-11H2
InChIKey
GSQDWXKOJGHXCX-UHFFFAOYSA-N
Canonic Smiles
N1CCN(CC1)c1ccc(nn1)c1ccccc1
Isomeric Smiles
n1nc(ccc1N1CCNCC1)c1ccccc1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.9671455
LogD (pH = 7.4)
0.6179596
Log P
1.9754522
Molar Refractivity
74.0261
Polarizability
28.84278
Polar Surface Area
41.05
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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