Molecule

ID:35490

General Information
Structure
Molecular Formula
C₁₃H₂₀N₂
Molecular Mass
204.3113
Exact Mass
204.16264865
Charge
0
InChI
InChI=1S/C13H20N2/c1-14-11-12-5-7-13(8-6-12)15-9-3-2-4-10-15/h5-8,14H,2-4,9-11H2,1H3
InChIKey
ABHBNGLDUNAXSR-UHFFFAOYSA-N
Canonic Smiles
CNCc1ccc(cc1)N1CCCCC1
Isomeric Smiles
N1(c2ccc(cc2)CNC)CCCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.83626676
LogD (pH = 7.4)
0.13737747
Log P
2.4900045
Molar Refractivity
65.8766
Polarizability
25.193575
Polar Surface Area
15.27
Rotatable Bonds
3
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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