Molecule
ID:124821
General Information
Molecular Formula
C₁₂H₂₀N₂
Molecular Mass
192.3006
Exact Mass
192.16264865
Charge
0
InChI
InChI=1S/C12H20N2/c1-14-9-5-8-12(14)10-13-11-6-3-2-4-7-11/h5,8-9,11,13H,2-4,6-7,10H2,1H3
InChIKey
HRDRHDWQTTTYAN-UHFFFAOYSA-N
Canonic Smiles
Cn1cccc1CNC1CCCCC1
Isomeric Smiles
n1(c(ccc1)CNC1CCCCC1)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.63277614
LogD (pH = 7.4)
0.37770325
Log P
2.5544264
Molar Refractivity
59.8532
Polarizability
23.507874
Polar Surface Area
16.96
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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