Molecule

ID:19132

General Information
Structure
MolImage
Molecular Formula
C₇H₆BrFO
Molecular Mass
205.0243432
Exact Mass
203.95860503
Charge
0
InChI
InChI=1S/C7H6BrFO/c1-10-7-4-5(8)2-3-6(7)9/h2-4H,1H3
InChIKey
SEVMQEIGENUPIE-UHFFFAOYSA-N
Canonic Smiles
COc1cc(Br)ccc1F
Isomeric Smiles
COc1c(ccc(c1)Br)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.727029
LogD (pH = 7.4)
2.727029
Log P
2.727029
Molar Refractivity
40.3604
Polarizability
15.507887
Polar Surface Area
9.23
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