Molecule
ID:117903
General Information
Molecular Formula
C₇H₃F₂NO
Molecular Mass
155.1016264
Exact Mass
155.01827016
Charge
0
InChI
InChI=1S/C7H3F2NO/c8-5-2-1-3-6(9)7(5)10-4-11/h1-3H
InChIKey
YXHDLKWTPVMIOH-UHFFFAOYSA-N
Canonic Smiles
O=C=Nc1c(F)cccc1F
Isomeric Smiles
c1(N=C=O)c(F)cccc1F
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
12.204002
Polar Surface Area
29.43
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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