Molecule

ID:105342

General Information
Structure
MolImage
Molecular Formula
C₆H₁₆N₄O₂
Molecular Mass
176.21684
Exact Mass
176.12732577
Charge
0
InChI
InChI=1S/C6H16N4O2/c1-2-5-9(6-3-4-7)10(12)8-11/h12H,2-7H2,1H3
InChIKey
CXQCOPWRDNFJDZ-UHFFFAOYSA-N
Canonic Smiles
CCCN(N(N=O)O)CCCN
Isomeric Smiles
CCCN(CCCN)N(O)N=O
Calculated Properties
JChem
Acid pKa
12.965883
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-3.4234605
LogD (pH = 7.4)
-2.9793196
Log P
-0.4003193
Molar Refractivity
47.2029
Polarizability
17.87273
Polar Surface Area
82.16
Rotatable Bonds
7
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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