Molecule

ID:18709

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₀N₂
Molecular Mass
192.3006
Exact Mass
192.16264865
Charge
0
InChI
InChI=1S/C12H20N2/c1-3-14(4-2)10-12-8-6-5-7-11(12)9-13/h5-8H,3-4,9-10,13H2,1-2H3
InChIKey
CVVJKBIPNSXFSQ-UHFFFAOYSA-N
Canonic Smiles
CCN(Cc1ccccc1CN)CC
Isomeric Smiles
c1(CN(CC)CC)c(CN)cccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.552472
LogD (pH = 7.4)
-2.1573098
Log P
1.7540269
Molar Refractivity
62.5713
Polarizability
24.492744
Polar Surface Area
29.26
Rotatable Bonds
5
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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