Molecule

ID:94977

General Information
Structure
MolImage
Molecular Formula
C₉H₇Cl₂F
Molecular Mass
205.0562832
Exact Mass
203.9908838
Charge
0
InChI
InChI=1S/C9H7Cl2F/c1-6(10)4-7-2-3-8(11)9(12)5-7/h2-3,5H,1,4H2
InChIKey
ORXCQAFEECOUTE-UHFFFAOYSA-N
Canonic Smiles
ClC(=C)Cc1ccc(c(c1)F)Cl
Isomeric Smiles
Clc1c(cc(cc1)CC(=C)Cl)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.8994188
LogD (pH = 7.4)
3.8994188
Log P
3.8994188
Molar Refractivity
50.2367
Polarizability
19.04352
Polar Surface Area
0.0
Rotatable Bonds
2
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