Molecule

ID:97175

General Information
Structure
Molecular Formula
C₉H₁₁FO
Molecular Mass
154.1814432
Exact Mass
154.07939319
Charge
0
InChI
InChI=1S/C9H11FO/c1-7(2)11-9-5-3-4-8(10)6-9/h3-7H,1-2H3
InChIKey
INDGWZOOYLDIPO-UHFFFAOYSA-N
Canonic Smiles
CC(Oc1cccc(c1)F)C
Isomeric Smiles
O(c1cc(ccc1)F)C(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.7316594
LogD (pH = 7.4)
2.7316594
Log P
2.7316594
Molar Refractivity
41.905
Polarizability
16.18422
Polar Surface Area
9.23
Rotatable Bonds
2
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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