Molecule

ID:18032

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆N₂
Molecular Mass
164.24744
Exact Mass
164.13134852
Charge
0
InChI
InChI=1S/C10H16N2/c1-12(2)8-10-5-3-4-9(6-10)7-11/h3-6H,7-8,11H2,1-2H3
InChIKey
VOVDYPSBXVIIAH-UHFFFAOYSA-N
Canonic Smiles
NCc1cccc(c1)CN(C)C
Isomeric Smiles
c1(CN(C)C)cc(CN)ccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-5.0704556
LogD (pH = 7.4)
-2.4671872
Log P
1.040411
Molar Refractivity
53.0741
Polarizability
20.798658
Polar Surface Area
29.26
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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