Molecule

ID:31337

General Information
Structure
Molecular Formula
C₁₃H₂₀N₂
Molecular Mass
204.3113
Exact Mass
204.16264865
Charge
0
InChI
InChI=1S/C13H20N2/c1-11-5-4-8-15(10-11)13-7-3-2-6-12(13)9-14/h2-3,6-7,11H,4-5,8-10,14H2,1H3
InChIKey
GDYYTQZYOAPEDJ-UHFFFAOYSA-N
Canonic Smiles
NCc1ccccc1N1CCCC(C1)C
Isomeric Smiles
N1(c2c(CN)cccc2)CC(CCC1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.5136921
LogD (pH = 7.4)
0.7580427
Log P
2.4223971
Molar Refractivity
65.5736
Polarizability
25.193884
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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