Molecule

ID:34003

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆N₄
Molecular Mass
216.28224
Exact Mass
216.13749653
Charge
0
InChI
InChI=1S/C12H16N4/c1-15-4-6-16(7-5-15)12-3-2-11(14)8-10(12)9-13/h2-3,8H,4-7,14H2,1H3
InChIKey
LAPZOCNBYMFZKO-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cc(N)ccc1N1CCN(CC1)C
Isomeric Smiles
c1(c(N2CCN(CC2)C)ccc(c1)N)C#N
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.0740452
LogD (pH = 7.4)
0.5898154
Log P
0.95557946
Molar Refractivity
66.9587
Polarizability
24.444317
Polar Surface Area
56.29
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
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References
Bioactivity
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