Molecule

ID:136218

General Information
Structure
MolImage
Molecular Formula
C₆H₁₄N₄O₂
Molecular Mass
174.20096
Exact Mass
174.11167571
Charge
0
InChI
InChI=1S/C6H14N4O2/c7-9-5(11)3-1-2-4-6(12)10-8/h1-4,7-8H2,(H,9,11)(H,10,12)
InChIKey
IBVAQQYNSHJXBV-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)CCCCC(=O)NN
Isomeric Smiles
C(C(=O)NN)CCCC(=O)NN
Calculated Properties
JChem
Acid pKa
12.649596
H Acceptors
4
H Donor
4
LogD (pH = 5.5)
-1.7212892
LogD (pH = 7.4)
-1.716249
Log P
-1.7161822
Molar Refractivity
45.3516
Polarizability
17.123558
Polar Surface Area
110.24
Rotatable Bonds
5
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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