Molecule

ID:18504

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₀N₄
Molecular Mass
208.3033
Exact Mass
208.16879666
Charge
0
InChI
InChI=1S/C11H20N4/c1-3-15-9-11(10(2)13-15)8-14-6-4-12-5-7-14/h9,12H,3-8H2,1-2H3
InChIKey
VGJKCSQWIPAHSR-UHFFFAOYSA-N
Canonic Smiles
CCn1cc(c(n1)C)CN1CCNCC1
Isomeric Smiles
c1(c(nn(c1)CC)C)CN1CCNCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.8504353
LogD (pH = 7.4)
-1.5273613
Log P
0.29475242
Molar Refractivity
73.5996
Polarizability
24.028664
Polar Surface Area
33.09
Rotatable Bonds
3
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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