Molecule

ID:17002

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇ClFNO₃
Molecular Mass
243.6188832
Exact Mass
243.00984899
Charge
0
InChI
InChI=1S/C10H7ClFNO3/c11-5-2-1-3-6(12)9(5)7-4-8(10(14)15)16-13-7/h1-3,8H,4H2,(H,14,15)
InChIKey
KIWWDOKNJZYHSY-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1ON=C(C1)c1c(F)cccc1Cl
Isomeric Smiles
c1(C2=NOC(C2)C(=O)O)c(cccc1Cl)F
Calculated Properties
JChem
Acid pKa
2.937016
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.2400099
LogD (pH = 7.4)
-1.1898137
Log P
2.134394
Molar Refractivity
53.7562
Polarizability
20.673449
Polar Surface Area
58.89
Rotatable Bonds
2
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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