Molecule

ID:95029

General Information
Structure
MolImage
Molecular Formula
C₇H₈FNO
Molecular Mass
141.1429232
Exact Mass
141.0589921
Charge
0
InChI
InChI=1S/C7H8FNO/c1-10-7-3-5(8)2-6(9)4-7/h2-4H,9H2,1H3
InChIKey
BHWSRJOKTBUWBN-UHFFFAOYSA-N
Canonic Smiles
COc1cc(N)cc(c1)F
Isomeric Smiles
O(c1cc(cc(c1)N)F)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.1285006
LogD (pH = 7.4)
1.1293398
Log P
1.1293505
Molar Refractivity
37.438
Polarizability
13.678571
Polar Surface Area
35.25
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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