Molecule

ID:40437

General Information
Structure
MolImage
Molecular Formula
C₇H₈Cl₂FNO
Molecular Mass
212.0489232
Exact Mass
210.99669746
Charge
0
InChI
InChI=1S/C7H7ClFNO.ClH/c8-7-3-6(9)2-1-5(7)4-11-10;/h1-3H,4,10H2;1H
InChIKey
RESSCEGDJBQHMY-UHFFFAOYSA-N
Canonic Smiles
NOCc1ccc(cc1Cl)F.Cl
Isomeric Smiles
c1(c(ccc(c1)F)CON)Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.0964792
LogD (pH = 7.4)
2.1085284
Log P
2.108684
Molar Refractivity
41.9648
Polarizability
15.999415
Polar Surface Area
35.25
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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