Molecule

ID:68232

General Information
Structure
MolImage
Molecular Formula
C₇H₈FNO
Molecular Mass
141.1429232
Exact Mass
141.0589921
Charge
0
InChI
InChI=1S/C7H8FNO/c1-10-7-5(8)3-2-4-6(7)9/h2-4H,9H2,1H3
InChIKey
RCYMPYMITUEHOJ-UHFFFAOYSA-N
Canonic Smiles
COc1c(N)cccc1F
Isomeric Smiles
Nc1c(c(ccc1)F)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.1262052
LogD (pH = 7.4)
1.1293108
Log P
1.1293505
Molar Refractivity
37.438
Polarizability
13.679764
Polar Surface Area
35.25
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
References
Bioactivity
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