Molecule

ID:3325

General Information
Structure
MolImage
Molecular Formula
C₈H₉FO
Molecular Mass
140.1548632
Exact Mass
140.06374313
Charge
0
InChI
InChI=1S/C8H9FO/c9-8-3-1-7(2-4-8)5-6-10/h1-4,10H,5-6H2
InChIKey
MWUVGXCUHWKQJE-UHFFFAOYSA-N
Canonic Smiles
OCCc1ccc(cc1)F
Isomeric Smiles
OCCc1ccc(F)cc1
Calculated Properties
JChem
Acid pKa
15.887388
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.6372592
LogD (pH = 7.4)
1.6372592
Log P
1.6372592
Molar Refractivity
37.8453
Polarizability
14.2177725
Polar Surface Area
20.23
Rotatable Bonds
2
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
1.62
LOG S
-1.66
Solubility (Water)
3.10e+00 g/l
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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