Molecule

ID:31790

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀N₂
Molecular Mass
204.3113
Exact Mass
204.16264865
Charge
0
InChI
InChI=1S/C13H20N2/c14-13-8-4-3-7-12(13)11-15-9-5-1-2-6-10-15/h3-4,7-8H,1-2,5-6,9-11,14H2
InChIKey
WISUGAJNGKAUPQ-UHFFFAOYSA-N
Canonic Smiles
Nc1ccccc1CN1CCCCCC1
Isomeric Smiles
c1(CN2CCCCCC2)c(N)cccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.0461706
LogD (pH = 7.4)
0.07875192
Log P
2.3806515
Molar Refractivity
66.0441
Polarizability
25.195683
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
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Molecule Details
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References
Bioactivity
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