Molecule

ID:77756

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₈N₄
Molecular Mass
206.28742
Exact Mass
206.1531466
Charge
0
InChI
InChI=1S/C11H18N4/c1-9-6-13-7-11(14-9)15-4-2-3-10(5-12)8-15/h6-7,10H,2-5,8,12H2,1H3
InChIKey
JHPOBBOJQWUTSY-UHFFFAOYSA-N
Canonic Smiles
NCC1CCCN(C1)c1cncc(n1)C
Isomeric Smiles
n1c(cncc1C)N1CC(CCC1)CN
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.9273822
LogD (pH = 7.4)
-2.2512698
Log P
0.08510779
Molar Refractivity
61.1788
Polarizability
23.28543
Polar Surface Area
55.04
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
No Data Available
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Molecule Details
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References
Bioactivity
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