Molecule

ID:9805

General Information
Structure
MolImage
Molecular Formula
C₄BrF₇O
Molecular Mass
276.9350224
Exact Mass
275.90207416
Charge
0
InChI
InChI=1S/C4BrF7O/c5-3(9,10)4(11,12)13-2(8)1(6)7
InChIKey
ZPYGRBTUNITHKJ-UHFFFAOYSA-N
Canonic Smiles
FC(=C(OC(C(Br)(F)F)(F)F)F)F
Isomeric Smiles
O(C(=C(F)F)F)C(C(Br)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.49249
LogD (pH = 7.4)
3.49249
Log P
3.49249
Molar Refractivity
51.708
Polarizability
11.943703
Polar Surface Area
9.23
Rotatable Bonds
3
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