Molecule

ID:109821

General Information
Structure
MolImage
Molecular Formula
C₆H₁₄N₂
Molecular Mass
114.18876
Exact Mass
114.11569846
Charge
0
InChI
InChI=1S/C6H14N2/c1-5-3-8-6(2)4-7-5/h5-8H,3-4H2,1-2H3
InChIKey
NSMWYRLQHIXVAP-UHFFFAOYSA-N
Canonic Smiles
CC1NCC(NC1)C
Isomeric Smiles
CC1CNC(C)CN1
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-3.3561428
LogD (pH = 7.4)
-2.2012966
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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