Molecule

ID:90454

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀N₂
Molecular Mass
204.3113
Exact Mass
204.16264865
Charge
0
InChI
InChI=1S/C13H20N2/c1-14-10-12-4-6-13(7-5-12)11-15-8-2-3-9-15/h4-7,14H,2-3,8-11H2,1H3
InChIKey
PJTVZWBZDHZISX-UHFFFAOYSA-N
Canonic Smiles
CNCc1ccc(cc1)CN1CCCC1
Isomeric Smiles
N1(CCCC1)Cc1ccc(cc1)CNC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.643134
LogD (pH = 7.4)
-2.2584474
Log P
1.8787888
Molar Refractivity
65.3897
Polarizability
25.595165
Polar Surface Area
15.27
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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