Molecule

ID:105341

General Information
Structure
MolImage
Molecular Formula
C₆H₁₆N₄O₂
Molecular Mass
176.21684
Exact Mass
176.12732577
Charge
0
InChI
InChI=1S/C6H16N4O2/c1-3-7-5-6-9(4-2)10(12)8-11/h7,12H,3-6H2,1-2H3
InChIKey
KCXCCSJYRGUQFM-UHFFFAOYSA-N
Canonic Smiles
CCN(N(N=O)O)CCNCC
Isomeric Smiles
CCNCCN(CC)N(O)N=O
Calculated Properties
JChem
Acid pKa
12.964515
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-3.3830605
LogD (pH = 7.4)
-2.3892314
Log P
-0.19341308
Molar Refractivity
47.3367
Polarizability
17.87273
Polar Surface Area
68.17
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation