Molecule

ID:14758

General Information
Structure
MolImage
Molecular Formula
C₈H₇N₃O₃
Molecular Mass
193.15948
Exact Mass
193.0487411
Charge
0
InChI
InChI=1S/C8H7N3O3/c1-4-2-6(12)11-7(10-4)5(3-9-11)8(13)14/h2-3,10H,1H3,(H,13,14)
InChIKey
MVGJSQSIGDDWRK-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cnn2c1[nH]c(C)cc2=O
Isomeric Smiles
c12n(ncc1C(=O)O)c(=O)cc([nH]2)C
Calculated Properties
JChem
Acid pKa
3.6563923
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-1.8757062
LogD (pH = 7.4)
-3.3573105
Log P
-0.03477784
Molar Refractivity
49.9022
Polarizability
17.210192
Polar Surface Area
84.22
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