Molecule

ID:34522

General Information
Structure
Molecular Formula
C₁₂H₂₀N₄
Molecular Mass
220.314
Exact Mass
220.16879666
Charge
0
InChI
InChI=1S/C12H20N4/c1-3-4-11-9-12(15-10(2)14-11)16-7-5-13-6-8-16/h9,13H,3-8H2,1-2H3
InChIKey
YHLFCBMBUPJHRF-UHFFFAOYSA-N
Canonic Smiles
CCCc1cc(nc(n1)C)N1CCNCC1
Isomeric Smiles
c1(nc(nc(c1)N1CCNCC1)C)CCC
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.1782937
LogD (pH = 7.4)
0.59974885
Log P
2.072825
Molar Refractivity
66.6636
Polarizability
25.047388
Polar Surface Area
41.05
Rotatable Bonds
3
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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