Molecule

ID:68786

General Information
Structure
MolImage
Molecular Formula
C₇H₈FNO
Molecular Mass
141.1429232
Exact Mass
141.0589921
Charge
0
InChI
InChI=1S/C7H8FNO/c1-10-5-2-3-7(9)6(8)4-5/h2-4H,9H2,1H3
InChIKey
YWUVOJJHVFLNJA-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(c(c1)F)N
Isomeric Smiles
Nc1c(cc(cc1)OC)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.1275802
LogD (pH = 7.4)
1.1293283
Log P
1.1293505
Molar Refractivity
37.438
Polarizability
13.678523
Polar Surface Area
35.25
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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