Molecule

ID:97196

General Information
Structure
MolImage
Molecular Formula
C₈H₄ClF₂N
Molecular Mass
187.5738664
Exact Mass
187.00003325
Charge
0
InChI
InChI=1S/C8H4ClF2N/c9-8(10,11)7-3-1-6(5-12)2-4-7/h1-4H
InChIKey
HMHWTRCQAAXYJB-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccc(cc1)C(Cl)(F)F
Isomeric Smiles
N#Cc1ccc(cc1)C(Cl)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.913877
LogD (pH = 7.4)
2.913877
Log P
2.913877
Molar Refractivity
42.5881
Polarizability
15.420816
Polar Surface Area
23.79
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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