Molecule

ID:25815

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄N₂O
Molecular Mass
142.19886
Exact Mass
142.11061308
Charge
0
InChI
InChI=1S/C7H14N2O/c8-9-7(10)6-4-2-1-3-5-6/h6H,1-5,8H2,(H,9,10)
InChIKey
HUYREUUJFLHEDE-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)C1CCCCC1
Isomeric Smiles
C(=O)(NN)C1CCCCC1
Calculated Properties
JChem
Acid pKa
13.259256
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.78422296
LogD (pH = 7.4)
0.78670585
Log P
0.7867382
Molar Refractivity
40.1522
Polarizability
15.533293
Polar Surface Area
55.12
Rotatable Bonds
1
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
暂无数据
点击上传数据
References
Bioactivity
Navigation