Molecule

ID:75769

General Information
Structure
MolImage
Molecular Formula
C₉H₉ClO₃
Molecular Mass
200.61896
Exact Mass
200.02402183
Charge
0
InChI
InChI=1S/C9H9ClO3/c1-12-8-5-6(10)3-4-7(8)9(11)13-2/h3-5H,1-2H3
InChIKey
UTEXPQWKBMXWJD-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(cc1OC)Cl
Isomeric Smiles
Clc1cc(c(cc1)C(=O)OC)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.4230962
LogD (pH = 7.4)
2.4230962
Log P
2.4230962
Molar Refractivity
49.3513
Polarizability
19.200687
Polar Surface Area
35.53
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