Molecule

ID:47878

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀N₂
Molecular Mass
204.3113
Exact Mass
204.16264865
Charge
0
InChI
InChI=1S/C13H20N2/c1-11-10-12(6-7-13(11)14)15-8-4-2-3-5-9-15/h6-7,10H,2-5,8-9,14H2,1H3
InChIKey
MWEQTUFZBZLFLP-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1C)N1CCCCCC1
Isomeric Smiles
N1(c2cc(c(cc2)N)C)CCCCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.8230466
LogD (pH = 7.4)
2.5109239
Log P
3.06072
Molar Refractivity
66.9712
Polarizability
24.715698
Polar Surface Area
29.26
Rotatable Bonds
1
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
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Molecule Details
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References
Bioactivity
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