Molecule

ID:95624

General Information
Structure
MolImage
Molecular Formula
C₇H₂ClFN₂O₂
Molecular Mass
200.5543832
Exact Mass
199.97888321
Charge
0
InChI
InChI=1S/C7H2ClFN2O2/c8-7-4(3-10)5(9)1-2-6(7)11(12)13/h1-2H
InChIKey
XVANGCBQAQNWOS-UHFFFAOYSA-N
Canonic Smiles
N#Cc1c(F)ccc(c1Cl)[N+](=O)[O-]
Isomeric Smiles
[N+](=O)(c1ccc(c(c1Cl)C#N)F)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.5160728
LogD (pH = 7.4)
2.5160728
Log P
2.5160728
Molar Refractivity
44.1255
Polarizability
15.895804
Polar Surface Area
69.61
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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