Molecule

ID:94386

General Information
Structure
MolImage
Molecular Formula
C₈H₈F₇NO
Molecular Mass
267.1440424
Exact Mass
267.04941142
Charge
0
InChI
InChI=1S/C8H8F7NO/c1-4(2)5(17)16-3-6(9,10)7(11,12)8(13,14)15/h1,3H2,2H3,(H,16,17)
InChIKey
MIKFERZOWUQQSR-UHFFFAOYSA-N
Canonic Smiles
O=C(C(=C)C)NCC(C(C(F)(F)F)(F)F)(F)F
Isomeric Smiles
N(CC(F)(C(F)(F)C(F)(F)F)F)C(=O)C(=C)C
Calculated Properties
JChem
Acid pKa
9.687863
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.7015007
LogD (pH = 7.4)
2.6996317
Log P
2.701613
Molar Refractivity
43.1535
Polarizability
15.860926
Polar Surface Area
29.1
Rotatable Bonds
5
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