Molecule

ID:94577

General Information
Structure
MolImage
Molecular Formula
C₇H₈FNO
Molecular Mass
141.1429232
Exact Mass
141.0589921
Charge
0
InChI
InChI=1S/C7H8FNO/c1-4-2-5(8)6(9)3-7(4)10/h2-3,10H,9H2,1H3
InChIKey
HEAQOCBITATQEW-UHFFFAOYSA-N
Canonic Smiles
Oc1cc(N)c(cc1C)F
Isomeric Smiles
Oc1cc(c(cc1C)F)N
Calculated Properties
JChem
Acid pKa
9.781784
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.4964489
LogD (pH = 7.4)
1.495083
Log P
1.4968779
Molar Refractivity
37.9969
Polarizability
13.539207
Polar Surface Area
46.25
Rotatable Bonds
0
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
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Molecule Details
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References
Bioactivity
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