Molecule

ID:41399

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀ClNO₂
Molecular Mass
211.6449
Exact Mass
211.04000625
Charge
0
InChI
InChI=1S/C10H10ClNO2/c1-7(13)9(11)10(14)12-8-5-3-2-4-6-8/h2-6,9H,1H3,(H,12,14)
InChIKey
LBHYOONLWAWEAA-UHFFFAOYSA-N
Canonic Smiles
ClC(C(=O)C)C(=O)Nc1ccccc1
Isomeric Smiles
C(=O)(C(C(=O)C)Cl)Nc1ccccc1
Calculated Properties
JChem
Acid pKa
9.125174
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.0721407
LogD (pH = 7.4)
2.0641494
Log P
2.0722435
Molar Refractivity
55.2054
Polarizability
20.824148
Polar Surface Area
46.17
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