Molecule

ID:88346

General Information
Structure
MolImage
Molecular Formula
C₈H₉ClN₂O₂
Molecular Mass
200.62226
Exact Mass
200.03525522
Charge
0
InChI
InChI=1S/C8H9ClN2O2/c1-10-8(12)7-5(9)3-4-6(11-7)13-2/h3-4H,1-2H3,(H,10,12)
InChIKey
YEZUNGLSHZWQMK-UHFFFAOYSA-N
Canonic Smiles
CNC(=O)c1nc(OC)ccc1Cl
Isomeric Smiles
n1c(c(ccc1OC)Cl)C(=O)NC
Calculated Properties
JChem
Acid pKa
12.976534
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.256571
LogD (pH = 7.4)
1.25657
Log P
1.256571
Molar Refractivity
49.0857
Polarizability
18.62274
Polar Surface Area
51.22
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