Molecule

ID:42091

General Information
Structure
MolImage
Molecular Formula
C₇H₉ClN₂O₃
Molecular Mass
204.61096
Exact Mass
204.03016984
Charge
0
InChI
InChI=1S/C7H8N2O3.ClH/c8-12-5-6-1-3-7(4-2-6)9(10)11;/h1-4H,5,8H2;1H
InChIKey
LKCAFSOYOMFQSL-UHFFFAOYSA-N
Canonic Smiles
NOCc1ccc(cc1)[N+](=O)[O-].Cl
Isomeric Smiles
c1c(ccc(c1)CON)[N+](=O)[O-].Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.2902153
LogD (pH = 7.4)
1.3017722
Log P
1.3019216
Molar Refractivity
43.2641
Polarizability
16.287184
Polar Surface Area
78.39
Rotatable Bonds
3
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
References
Bioactivity
Navigation