Molecule

ID:40440

General Information
Structure
MolImage
Molecular Formula
C₇H₉ClN₂O₃
Molecular Mass
204.61096
Exact Mass
204.03016984
Charge
0
InChI
InChI=1S/C7H8N2O3.ClH/c8-12-5-6-3-1-2-4-7(6)9(10)11;/h1-4H,5,8H2;1H
InChIKey
BQIQHXAETAYODF-UHFFFAOYSA-N
Canonic Smiles
NOCc1ccccc1[N+](=O)[O-].Cl
Isomeric Smiles
c1(c(CON)cccc1)[N+](=O)[O-].Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.2927308
LogD (pH = 7.4)
1.3018048
Log P
1.3019216
Molar Refractivity
44.2683
Polarizability
16.287691
Polar Surface Area
81.07
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
暂无数据
点击上传数据
References
Bioactivity
Navigation