Molecule

ID:60312

General Information
Structure
MolImage
Molecular Formula
C₅H₇N₃O
Molecular Mass
125.12858
Exact Mass
125.05891186
Charge
0
InChI
InChI=1S/C5H7N3O/c1-8-4(5(6)9)2-3-7-8/h2-3H,1H3,(H2,6,9)
InChIKey
MFMKTVNIVSWSTK-UHFFFAOYSA-N
Canonic Smiles
Cn1nccc1C(=O)N
Isomeric Smiles
n1(c(ccn1)C(=O)N)C
Calculated Properties
JChem
Acid pKa
13.982955
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.82826877
LogD (pH = 7.4)
-0.8282528
Log P
-0.82825273
Molar Refractivity
43.9173
Polarizability
11.800637
Polar Surface Area
60.91
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