Molecule

ID:8997

General Information
Structure
Molecular Formula
C₇H₄Cl₂FNO
Molecular Mass
208.0171632
Exact Mass
206.96539733
Charge
0
InChI
InChI=1S/C7H4Cl2FNO/c8-4-2-5(9)6(10)1-3(4)7(11)12/h1-2H,(H2,11,12)
InChIKey
SKSVSZRFINHARI-UHFFFAOYSA-N
Canonic Smiles
NC(=O)c1cc(F)c(cc1Cl)Cl
Isomeric Smiles
c1(c(cc(c(c1)Cl)C(=O)N)F)Cl
Calculated Properties
JChem
Acid pKa
12.458138
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.1746774
LogD (pH = 7.4)
2.1746807
Log P
2.1746774
Molar Refractivity
44.9624
Polarizability
16.863607
Polar Surface Area
43.09
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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