Molecule

ID:47691

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀N₂
Molecular Mass
204.3113
Exact Mass
204.16264865
Charge
0
InChI
InChI=1S/C13H20N2/c1-10-6-7-13(12(14)9-10)15-8-4-3-5-11(15)2/h6-7,9,11H,3-5,8,14H2,1-2H3
InChIKey
SKIXZIHSNVILJZ-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(c1)N)N1CCCCC1C
Isomeric Smiles
N1(c2c(cc(cc2)C)N)C(C)CCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.6619349
LogD (pH = 7.4)
3.0254045
Log P
3.0327263
Molar Refractivity
66.789
Polarizability
24.71633
Polar Surface Area
29.26
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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