Molecule

ID:22381

General Information
Structure
MolImage
Molecular Formula
C₆H₁₄N₂
Molecular Mass
114.18876
Exact Mass
114.11569846
Charge
0
InChI
InChI=1S/C6H14N2/c1-5-6(2)8-4-3-7-5/h5-8H,3-4H2,1-2H3
InChIKey
COWPTMLRSANSMQ-UHFFFAOYSA-N
Canonic Smiles
CC1NCCNC1C
Isomeric Smiles
N1C(C(NCC1)C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-3.3564553
LogD (pH = 7.4)
-2.2017725
Log P
0.10434322
Molar Refractivity
34.2864
Polarizability
14.118806
Polar Surface Area
24.06
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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