Molecule

ID:26909

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀ClNO
Molecular Mass
183.6348
Exact Mass
183.04509163
Charge
0
InChI
InChI=1S/C9H10ClNO/c1-7-2-4-8(5-3-7)11-9(12)6-10/h2-5H,6H2,1H3,(H,11,12)
InChIKey
CITIOELQTFSEGI-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)Nc1ccc(cc1)C
Isomeric Smiles
C(=O)(Nc1ccc(cc1)C)CCl
Calculated Properties
JChem
Acid pKa
13.785144
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.2617214
LogD (pH = 7.4)
2.2617211
Log P
2.2617214
Molar Refractivity
50.7154
Polarizability
18.800585
Polar Surface Area
29.1
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