Molecule

ID:18138

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈N₄
Molecular Mass
194.27672
Exact Mass
194.1531466
Charge
0
InChI
InChI=1S/C10H18N4/c1-2-13-7-4-9(5-8-13)14-10(11)3-6-12-14/h3,6,9H,2,4-5,7-8,11H2,1H3
InChIKey
DVTSSWXYSFLILI-UHFFFAOYSA-N
Canonic Smiles
CCN1CCC(CC1)n1nccc1N
Isomeric Smiles
Nc1n(ncc1)C1CCN(CC1)CC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.175176
LogD (pH = 7.4)
-1.597156
Log P
0.04508501
Molar Refractivity
69.1148
Polarizability
21.876839
Polar Surface Area
47.08
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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