Molecule

ID:70347

General Information
Structure
MolImage
Molecular Formula
C₆H₁₄N₂
Molecular Mass
114.18876
Exact Mass
114.11569846
Charge
0
InChI
InChI=1S/C6H14N2/c7-5-3-1-2-4-6(5)8/h5-6H,1-4,7-8H2/t5-,6-/m0/s1
InChIKey
SSJXIUAHEKJCMH-WDSKDSINSA-N
Canonic Smiles
N[C@H]1CCCC[C@@H]1N
Isomeric Smiles
[C@H]1([C@H](CCCC1)N)N
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-4.8559394
LogD (pH = 7.4)
-2.7383268
Log P
-0.007973737
Molar Refractivity
33.952
Polarizability
14.118806
Polar Surface Area
52.04
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
References
Bioactivity
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