Molecule

ID:11956

General Information
Structure
MolImage
Molecular Formula
C₈H₉FO
Molecular Mass
140.1548632
Exact Mass
140.06374313
Charge
0
InChI
InChI=1S/C8H9FO/c1-6(10)7-2-4-8(9)5-3-7/h2-6,10H,1H3
InChIKey
PSDSORRYQPTKSV-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccc(cc1)F)O
Isomeric Smiles
C(C)(O)c1ccc(cc1)F
Calculated Properties
JChem
Acid pKa
14.763151
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.765173
LogD (pH = 7.4)
1.765173
Log P
1.765173
Molar Refractivity
37.5091
Polarizability
14.288199
Polar Surface Area
20.23
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
References
Bioactivity
Navigation