Molecule

ID:47814

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₀N₂
Molecular Mass
192.3006
Exact Mass
192.16264865
Charge
0
InChI
InChI=1S/C12H20N2/c1-4-5-8-14(3)12-7-6-11(13)9-10(12)2/h6-7,9H,4-5,8,13H2,1-3H3
InChIKey
LTGXRDDKEUKHQP-UHFFFAOYSA-N
Canonic Smiles
CCCCN(c1ccc(cc1C)N)C
Isomeric Smiles
c1(c(cc(cc1)N)C)N(CCCC)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.1770192
LogD (pH = 7.4)
2.7650216
Log P
3.089684
Molar Refractivity
64.1018
Polarizability
23.60898
Polar Surface Area
29.26
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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