Molecule

ID:85122

General Information
Structure
MolImage
Molecular Formula
C₈H₇ClN₂O₃
Molecular Mass
214.60578
Exact Mass
214.01451977
Charge
0
InChI
InChI=1S/C8H7ClN2O3/c1-10-8(12)6-4-5(11(13)14)2-3-7(6)9/h2-4H,1H3,(H,10,12)
InChIKey
QGEACCYXLCMQFM-UHFFFAOYSA-N
Canonic Smiles
CNC(=O)c1cc(ccc1Cl)[N+](=O)[O-]
Isomeric Smiles
[N+](=O)(c1ccc(c(c1)C(=O)NC)Cl)[O-]
Calculated Properties
JChem
Acid pKa
12.524501
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.591591
LogD (pH = 7.4)
1.5915881
Log P
1.591591
Molar Refractivity
52.1626
Polarizability
18.915585
Polar Surface Area
74.92
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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