Molecule

ID:40398

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉FO
Molecular Mass
164.1762632
Exact Mass
164.06374313
Charge
0
InChI
InChI=1S/C10H9FO/c1-8(12)2-3-9-4-6-10(11)7-5-9/h2-7H,1H3/b3-2+
InChIKey
IXOKEPVAYTWJGM-NSCUHMNNSA-N
Canonic Smiles
CC(=O)/C=C/c1ccc(cc1)F
Isomeric Smiles
C(=C\c1ccc(F)cc1)/C(=O)C
Calculated Properties
JChem
Acid pKa
19.683155
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.6084137
LogD (pH = 7.4)
2.6084137
Log P
2.6084137
Molar Refractivity
46.8274
Polarizability
17.247364
Polar Surface Area
17.07
Rotatable Bonds
2
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