Molecule

ID:27602

General Information
Structure
MolImage
Molecular Formula
C₇H₃F₂NO
Molecular Mass
155.1016264
Exact Mass
155.01827016
Charge
0
InChI
InChI=1S/C7H3F2NO/c8-5-1-2-6(9)7(3-5)10-4-11/h1-3H
InChIKey
SNHIIFOXCRYGGY-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1N=C=O)F
Isomeric Smiles
C(=Nc1cc(ccc1F)F)=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.1682053
LogD (pH = 7.4)
2.1682053
Log P
2.1682053
Molar Refractivity
35.5628
Polarizability
12.203537
Polar Surface Area
29.43
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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