Molecule

ID:38208

General Information
Structure
MolImage
Molecular Formula
C₆H₆FNO
Molecular Mass
127.1163432
Exact Mass
127.04334204
Charge
0
InChI
InChI=1S/C6H6FNO/c1-9-6-4-2-3-5(7)8-6/h2-4H,1H3
InChIKey
PKZOFECOOLMHMG-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(n1)F
Isomeric Smiles
c1c(nc(cc1)OC)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.7289922
LogD (pH = 7.4)
1.7289922
Log P
1.7289922
Molar Refractivity
31.9089
Polarizability
11.674723
Polar Surface Area
22.12
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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