Molecule

ID:9234

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇F₃O₂
Molecular Mass
216.1565896
Exact Mass
216.03981412
Charge
0
InChI
InChI=1S/C10H7F3O2/c11-10(12,13)8-4-1-7(2-5-8)3-6-9(14)15/h1-6H,(H,14,15)/b6-3+
InChIKey
ANRMAUMHJREENI-ZZXKWVIFSA-N
Canonic Smiles
OC(=O)/C=C/c1ccc(cc1)C(F)(F)F
Isomeric Smiles
c1c(ccc(c1)C(F)(F)F)/C=C/C(=O)O
Calculated Properties
JChem
Acid pKa
3.8348188
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.3453608
LogD (pH = 7.4)
-0.23211083
Log P
3.0139349
Molar Refractivity
49.0336
Polarizability
17.42438
Polar Surface Area
37.3
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
References
Bioactivity
Navigation