Molecule

ID:115936

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆N₄
Molecular Mass
216.28224
Exact Mass
216.13749653
Charge
0
InChI
InChI=1S/C12H16N4/c1-2-6-16-10-11(14-12(16)3-1)9-15-7-4-13-5-8-15/h1-3,6,10,13H,4-5,7-9H2
InChIKey
GLOGXBQRIAHTIP-UHFFFAOYSA-N
Canonic Smiles
N1CCN(CC1)Cc1nc2n(c1)cccc2
Isomeric Smiles
n1c2n(cc1CN1CCNCC1)cccc2
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.4081311
LogD (pH = 7.4)
-1.574898
Log P
0.24648972
Molar Refractivity
64.7123
Polarizability
24.820215
Polar Surface Area
32.57
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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