Molecule

ID:28602

General Information
Structure
MolImage
Molecular Formula
C₆H₁₄N₂O
Molecular Mass
130.18816
Exact Mass
130.11061308
Charge
0
InChI
InChI=1S/C6H14N2O/c7-8-5-3-1-2-4-6(5)9/h5-6,8-9H,1-4,7H2/t5-,6-/m1/s1
InChIKey
ARQGIKLKSPYVME-PHDIDXHHSA-N
Canonic Smiles
NN[C@@H]1CCCC[C@H]1O
Isomeric Smiles
[C@H]1(NN)[C@H](O)CCCC1
Calculated Properties
JChem
Acid pKa
14.560019
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
-0.40363932
LogD (pH = 7.4)
-0.09134975
Log P
-0.085747354
Molar Refractivity
47.2714
Polarizability
14.52605
Polar Surface Area
58.28
Rotatable Bonds
1
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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