Molecule

ID:74973

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀ClO₄P
Molecular Mass
248.600061
Exact Mass
248.00052311
Charge
0
InChI
InChI=1S/C9H10ClO4P/c1-13-15(12,14-2)9(11)7-3-5-8(10)6-4-7/h3-6H,1-2H3
InChIKey
TUKCAVDKGXMEKW-UHFFFAOYSA-N
Canonic Smiles
COP(=O)(C(=O)c1ccc(cc1)Cl)OC
Isomeric Smiles
P(=O)(C(=O)c1ccc(cc1)Cl)(OC)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.0344946
LogD (pH = 7.4)
2.0344946
Log P
2.0344946
Molar Refractivity
56.6585
Polarizability
22.577618
Polar Surface Area
52.6
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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