Molecule

ID:125797

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₀N₂
Molecular Mass
192.3006
Exact Mass
192.16264865
Charge
0
InChI
InChI=1S/C12H20N2/c1-9-7-12(14(3)4)6-5-11(9)8-10(2)13/h5-7,10H,8,13H2,1-4H3/t10-/m0/s1
InChIKey
HFQMYSHATTXRTC-JTQLQIEISA-N
Canonic Smiles
C[C@@H](Cc1ccc(cc1C)N(C)C)N
Isomeric Smiles
N(c1cc(c(cc1)C[C@@H](N)C)C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.8050118
LogD (pH = 7.4)
-0.115041085
Log P
2.4257157
Molar Refractivity
63.175
Polarizability
23.929508
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
References
Bioactivity
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