Molecule

ID:69101

General Information
Structure
MolImage
Molecular Formula
C₆H₅BrFNO
Molecular Mass
206.0124032
Exact Mass
204.95385401
Charge
0
InChI
InChI=1S/C6H5BrFNO/c1-10-6-5(7)2-4(8)3-9-6/h2-3H,1H3
InChIKey
HSWCOAGQYSBFAK-UHFFFAOYSA-N
Canonic Smiles
COc1ncc(cc1Br)F
Isomeric Smiles
c1(c(cc(cn1)F)Br)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.1038141
LogD (pH = 7.4)
2.1038141
Log P
2.1038141
Molar Refractivity
38.517
Polarizability
14.754423
Polar Surface Area
22.12
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