Molecule

ID:90801

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆N₂
Molecular Mass
164.24744
Exact Mass
164.13134852
Charge
0
InChI
InChI=1S/C10H16N2/c1-11-8-9-4-6-10(7-5-9)12(2)3/h4-7,11H,8H2,1-3H3
InChIKey
DUIPUNLJRBPNMK-UHFFFAOYSA-N
Canonic Smiles
CNCc1ccc(cc1)N(C)C
Isomeric Smiles
N(Cc1ccc(cc1)N(C)C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.6041701
LogD (pH = 7.4)
-0.71506107
Log P
1.6396385
Molar Refractivity
53.7346
Polarizability
20.395489
Polar Surface Area
15.27
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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