Molecule

ID:95291

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆ClFN₂O₂
Molecular Mass
240.6182432
Exact Mass
240.01018334
Charge
0
InChI
InChI=1S/C10H6ClFN2O2/c11-7-5-9(13-3-1-2-4-13)10(14(15)16)6-8(7)12/h1-6H
InChIKey
ZPIDZWRNBZXXAL-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cc(F)c(cc1n1cccc1)Cl
Isomeric Smiles
[N+](=O)(c1c(cc(c(c1)F)Cl)n1cccc1)[O-]
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.1729
LogD (pH = 7.4)
3.1729
Log P
3.1729
Molar Refractivity
68.1563
Polarizability
21.842384
Polar Surface Area
50.75
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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