Molecule

ID:86092

General Information
Structure
MolImage
Molecular Formula
C₉H₇Cl₃O₂
Molecular Mass
253.50968
Exact Mass
251.9511625
Charge
0
InChI
InChI=1S/C9H7Cl3O2/c10-2-6-8(12)7(11)1-5-3-13-4-14-9(5)6/h1H,2-4H2
InChIKey
CLOQXZUODIZVTN-UHFFFAOYSA-N
Canonic Smiles
ClCc1c2OCOCc2cc(c1Cl)Cl
Isomeric Smiles
O1c2c(c(c(cc2COC1)Cl)Cl)CCl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.4252586
LogD (pH = 7.4)
3.4252586
Log P
3.4252586
Molar Refractivity
56.4053
Polarizability
22.23824
Polar Surface Area
18.46
Rotatable Bonds
1
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