Molecule

ID:40655

General Information
Structure
MolImage
Molecular Formula
C₉H₈N₂O₃
Molecular Mass
192.17142
Exact Mass
192.05349213
Charge
0
InChI
InChI=1S/C9H8N2O3/c1-2-9-10-7-4-3-6(11(12)13)5-8(7)14-9/h3-5H,2H2,1H3
InChIKey
PCGXXJTVFLMTPJ-UHFFFAOYSA-N
Canonic Smiles
CCc1nc2c(o1)cc(cc2)[N+](=O)[O-]
Isomeric Smiles
n1c(oc2c1ccc(c2)[N+](=O)[O-])CC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.0834477
LogD (pH = 7.4)
2.08345
Log P
2.08345
Molar Refractivity
49.1154
Polarizability
19.312153
Polar Surface Area
71.85
Rotatable Bonds
2
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