Molecule

ID:14959

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀N₂
Molecular Mass
204.3113
Exact Mass
204.16264865
Charge
0
InChI
InChI=1S/C13H20N2/c1-11-4-2-3-9-15(11)10-12-5-7-13(14)8-6-12/h5-8,11H,2-4,9-10,14H2,1H3
InChIKey
AJNSSUGFLMSCJD-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)CN1CCCCC1C
Isomeric Smiles
N1(Cc2ccc(cc2)N)C(CCCC1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.0728589
LogD (pH = 7.4)
0.082625456
Log P
2.3526578
Molar Refractivity
65.8619
Polarizability
25.195389
Polar Surface Area
29.26
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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