Molecule

ID:77817

General Information
Structure
MolImage
Molecular Formula
C₆H₁₄N₂
Molecular Mass
114.18876
Exact Mass
114.11569846
Charge
0
InChI
InChI=1S/C6H14N2/c1-2-6-5-7-3-4-8-6/h6-8H,2-5H2,1H3
InChIKey
DXOHZOPKNFZZAD-UHFFFAOYSA-N
Canonic Smiles
CCC1CNCCN1
Isomeric Smiles
N1CCNCC1CC
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-3.2233167
LogD (pH = 7.4)
-2.0540442
Log P
0.2102906
Molar Refractivity
34.3916
Polarizability
14.118806
Polar Surface Area
24.06
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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