Molecule

ID:15314

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀Cl₂FNO
Molecular Mass
226.0755032
Exact Mass
225.01234753
Charge
0
InChI
InChI=1S/C8H9ClFNO.ClH/c9-7-5-6(10)1-2-8(7)12-4-3-11;/h1-2,5H,3-4,11H2;1H
InChIKey
KNCOTHOJVWILSN-UHFFFAOYSA-N
Canonic Smiles
NCCOc1ccc(cc1Cl)F.Cl
Isomeric Smiles
c1(cc(ccc1OCCN)F)Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.1962551
LogD (pH = 7.4)
-0.090589024
Log P
1.7653373
Molar Refractivity
45.4922
Polarizability
17.825941
Polar Surface Area
35.25
Rotatable Bonds
3
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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