Molecule

ID:3495

General Information
Structure
MolImage
Molecular Formula
C₅H₁₄N₂
Molecular Mass
102.17806
Exact Mass
102.11569846
Charge
0
InChI
InChI=1S/C5H14N2/c6-4-2-1-3-5-7/h1-7H2
InChIKey
VHRGRCVQAFMJIZ-UHFFFAOYSA-N
Canonic Smiles
NCCCCCN
Isomeric Smiles
NCCCCCN
Calculated Properties
JChem
LogD (pH = 7.4)
-5.61
LogD (pH = 5.5)
-6.45
Log P
-0.40
Rotatable Bonds
4
H Donor
2
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
10.51
Polar Surface Area
52.04
Polarizability
13.11
Molar Refractivity
31.98
LOG S
0.47
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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