Molecule

ID:114561

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₈N₄
Molecular Mass
206.28742
Exact Mass
206.1531466
Charge
0
InChI
InChI=1S/C11H18N4/c1-9-8-10(12)14-11(13-9)15-6-4-2-3-5-7-15/h8H,2-7H2,1H3,(H2,12,13,14)
InChIKey
FJNFQZYOJUBELZ-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(N)nc(n1)N1CCCCCC1
Isomeric Smiles
c1(nc(cc(n1)C)N)N1CCCCCC1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.22077057
LogD (pH = 7.4)
1.4351382
Log P
2.0284019
Molar Refractivity
63.4453
Polarizability
22.89614
Polar Surface Area
55.04
Rotatable Bonds
1
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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