Molecule

ID:17850

General Information
Structure
Molecular Formula
C₁₁H₁₈N₄
Molecular Mass
206.28742
Exact Mass
206.1531466
Charge
0
InChI
InChI=1S/C11H18N4/c1-3-10-13-9(2)8-11(14-10)15-6-4-12-5-7-15/h8,12H,3-7H2,1-2H3
InChIKey
JWSBILVBQJUNHF-UHFFFAOYSA-N
Canonic Smiles
CCc1nc(cc(n1)C)N1CCNCC1
Isomeric Smiles
c1(N2CCNCC2)nc(nc(c1)C)CC
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.62739
LogD (pH = 7.4)
0.17353442
Log P
1.6525859
Molar Refractivity
62.0626
Polarizability
23.205322
Polar Surface Area
41.05
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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