Molecule

ID:31362

General Information
Structure
Molecular Formula
C₁₂H₂₀N₄
Molecular Mass
220.314
Exact Mass
220.16879666
Charge
0
InChI
InChI=1S/C12H20N4/c1-9(2)12-14-10(3)8-11(15-12)16-6-4-13-5-7-16/h8-9,13H,4-7H2,1-3H3
InChIKey
WDTSIWZARFGZIE-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(nc(n1)C(C)C)N1CCNCC1
Isomeric Smiles
n1c(N2CCNCC2)cc(nc1C(C)C)C
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.937974
LogD (pH = 7.4)
0.7392567
Log P
2.1892474
Molar Refractivity
66.6371
Polarizability
25.047165
Polar Surface Area
41.05
Rotatable Bonds
2
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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