Molecule

ID:97706

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀Cl₂FN
Molecular Mass
210.0761032
Exact Mass
209.01743291
Charge
0
InChI
InChI=1S/C8H9ClFN.ClH/c1-5(11)6-2-3-7(9)8(10)4-6;/h2-5H,11H2,1H3;1H/t5-;/m1./s1
InChIKey
SPEWNMFCSPYCCJ-NUBCRITNSA-N
Canonic Smiles
C[C@H](c1ccc(c(c1)F)Cl)N.Cl
Isomeric Smiles
N[C@@H](c1cc(c(cc1)Cl)F)C.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.7281271
LogD (pH = 7.4)
0.18999246
Log P
2.2623358
Molar Refractivity
43.9714
Polarizability
17.101328
Polar Surface Area
26.02
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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