Molecule

ID:33110

General Information
Structure
MolImage
Molecular Formula
C₃H₅N₃O
Molecular Mass
99.0913
Exact Mass
99.0432618
Charge
0
InChI
InChI=1S/C3H5N3O/c1-2-5-6-3(4)7-2/h1H3,(H2,4,6)
InChIKey
XPXWYVCQCNFIIJ-UHFFFAOYSA-N
Canonic Smiles
Cc1nnc(o1)N
Isomeric Smiles
o1c(nnc1C)N
Calculated Properties
JChem
Acid pKa
13.040394
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.0669264
LogD (pH = 7.4)
-1.0669266
Log P
-1.0669256
Molar Refractivity
25.598
Polarizability
8.469232
Polar Surface Area
64.94
Rotatable Bonds
0
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