Molecule

ID:40978

General Information
Structure
Molecular Formula
C₅H₇N₃O
Molecular Mass
125.12858
Exact Mass
125.05891186
Charge
0
InChI
InChI=1S/C5H7N3O/c6-8-5(9)4-2-1-3-7-4/h1-3,7H,6H2,(H,8,9)
InChIKey
FQIAWPZQJCAPSW-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1ccc[nH]1
Isomeric Smiles
C(=O)(c1[nH]ccc1)NN
Calculated Properties
JChem
Acid pKa
13.59141
H Acceptors
2
H Donor
3
LogD (pH = 5.5)
-0.47378117
LogD (pH = 7.4)
-0.47271818
Log P
-0.47270435
Molar Refractivity
34.2568
Polarizability
12.329015
Polar Surface Area
70.91
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