Molecule

ID:34379

General Information
Structure
MolImage
Molecular Formula
C₄H₇N₅O
Molecular Mass
141.13128
Exact Mass
141.06505987
Charge
0
InChI
InChI=1S/C4H7N5O/c1-2(10)6-4-7-3(5)8-9-4/h1H3,(H4,5,6,7,8,9,10)
InChIKey
AVOUZJMBBMFBNB-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Nc1n[nH]c(n1)N
Isomeric Smiles
[nH]1c(nc(n1)NC(=O)C)N
Calculated Properties
JChem
Acid pKa
10.683599
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-0.63879424
LogD (pH = 7.4)
-0.7420312
Log P
-0.6372694
Molar Refractivity
37.9022
Polarizability
12.41957
Polar Surface Area
96.69
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