Molecule

ID:35191

General Information
Structure
Molecular Formula
C₈H₁₇N₃O₂
Molecular Mass
187.23948
Exact Mass
187.1320768
Charge
0
InChI
InChI=1S/C8H17N3O2/c1-7(8(12)10-9)6-11-2-4-13-5-3-11/h7H,2-6,9H2,1H3,(H,10,12)
InChIKey
MNFUQKDADQKWNS-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)C(CN1CCOCC1)C
Isomeric Smiles
C(C(=O)NN)(CN1CCOCC1)C
Calculated Properties
JChem
Acid pKa
13.020347
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-3.0049424
LogD (pH = 7.4)
-1.3146852
Log P
-0.87376696
Molar Refractivity
50.7274
Polarizability
19.615421
Polar Surface Area
67.59
Rotatable Bonds
3
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