Molecule

ID:70263

General Information
Structure
Molecular Formula
C₇H₁₄N₂
Molecular Mass
126.19946
Exact Mass
126.11569846
Charge
0
InChI
InChI=1S/C7H14N2/c1-2-7-6-8-3-5-9(7)4-1/h7-8H,1-6H2/t7-/m1/s1
InChIKey
FTTATHOUSOIFOQ-SSDOTTSWSA-N
Canonic Smiles
N1CCN2[C@@H](C1)CCC2
Isomeric Smiles
N12CCNC[C@H]1CCC2
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.3727372
LogD (pH = 7.4)
-2.934824
Log P
0.11980564
Molar Refractivity
37.9547
Polarizability
15.227027
Polar Surface Area
15.27
Rotatable Bonds
0
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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