Molecule

ID:35850

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄N₄
Molecular Mass
214.26636
Exact Mass
214.12184647
Charge
0
InChI
InChI=1S/C12H14N4/c1-2-4-11-10(3-1)12(15-9-14-11)16-7-5-13-6-8-16/h1-4,9,13H,5-8H2
InChIKey
KLTHGJYCURVMAK-UHFFFAOYSA-N
Canonic Smiles
N1CCN(CC1)c1ncnc2c1cccc2
Isomeric Smiles
c1(c2c(ncn1)cccc2)N1CCNCC1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.4141161
LogD (pH = 7.4)
0.21831638
Log P
1.5916356
Molar Refractivity
64.298
Polarizability
25.379057
Polar Surface Area
41.05
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
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Molecule Details
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References
Bioactivity
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