Molecule

ID:77813

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀N₂
Molecular Mass
204.3113
Exact Mass
204.16264865
Charge
0
InChI
InChI=1S/C13H20N2/c1-2-13-10-14-8-9-15(13)11-12-6-4-3-5-7-12/h3-7,13-14H,2,8-11H2,1H3
InChIKey
RPNXMSHPLCRYIM-UHFFFAOYSA-N
Canonic Smiles
CCC1CNCCN1Cc1ccccc1
Isomeric Smiles
N1(Cc2ccccc2)CCNCC1CC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.2131236
LogD (pH = 7.4)
0.09289529
Log P
2.3178117
Molar Refractivity
64.2989
Polarizability
25.60032
Polar Surface Area
15.27
Rotatable Bonds
3
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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