Molecule

ID:73912

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀ClNO
Molecular Mass
183.6348
Exact Mass
183.04509163
Charge
0
InChI
InChI=1S/C9H10ClNO/c1-6-5-8(10)3-4-9(6)11-7(2)12/h3-5H,1-2H3,(H,11,12)
InChIKey
WMHHXYOPEQARIN-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Nc1ccc(cc1C)Cl
Isomeric Smiles
N(c1c(cc(cc1)Cl)C)C(=O)C
Calculated Properties
JChem
Acid pKa
14.478931
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.3284223
LogD (pH = 7.4)
2.3284223
Log P
2.3284223
Molar Refractivity
50.767
Polarizability
18.841763
Polar Surface Area
29.1
Rotatable Bonds
1
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