Molecule

ID:51655

General Information
Structure
MolImage
Molecular Formula
C₇H₄ClFN₂
Molecular Mass
170.5714632
Exact Mass
170.00470404
Charge
0
InChI
InChI=1S/C7H4ClFN2/c8-6-4-1-2-10-7(4)11-3-5(6)9/h1-3H,(H,10,11)
InChIKey
YXRHIFORQJRTTA-UHFFFAOYSA-N
Canonic Smiles
Fc1cnc2c(c1Cl)cc[nH]2
Isomeric Smiles
c1(cnc2c(c1Cl)cc[nH]2)F
Calculated Properties
JChem
Acid pKa
14.322494
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.968536
LogD (pH = 7.4)
1.9685439
Log P
1.968544
Molar Refractivity
39.9614
Polarizability
15.600379
Polar Surface Area
28.68
Rotatable Bonds
0
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
References
Bioactivity
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