Molecule

ID:100071

General Information
Structure
MolImage
Molecular Formula
C₈H₉FO
Molecular Mass
140.1548632
Exact Mass
140.06374313
Charge
0
InChI
InChI=1S/C8H9FO/c1-6-3-4-7(9)5-8(6)10-2/h3-5H,1-2H3
InChIKey
CXTIUQIZWCABPV-UHFFFAOYSA-N
Canonic Smiles
COc1cc(F)ccc1C
Isomeric Smiles
O(c1c(ccc(c1)F)C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.4716978
LogD (pH = 7.4)
2.4716978
Log P
2.4716978
Molar Refractivity
37.7788
Polarizability
14.275232
Polar Surface Area
9.23
Rotatable Bonds
1
Lipinski's Rule of Five
true
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
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References
Bioactivity
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