Molecule

ID:78726

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₀N₂
Molecular Mass
192.3006
Exact Mass
192.16264865
Charge
0
InChI
InChI=1S/C12H20N2/c1-10(2)13-9-11-5-7-12(8-6-11)14(3)4/h5-8,10,13H,9H2,1-4H3
InChIKey
NZXPKDJRJFKEIC-UHFFFAOYSA-N
Canonic Smiles
CC(NCc1ccc(cc1)N(C)C)C
Isomeric Smiles
N(c1ccc(cc1)CNC(C)C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.84194076
LogD (pH = 7.4)
-0.08335767
Log P
2.4130216
Molar Refractivity
62.902
Polarizability
24.0893
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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