Molecule

ID:31201

General Information
Structure
MolImage
Molecular Formula
C₈H₁₁Cl₂NO
Molecular Mass
208.08504
Exact Mass
207.02176934
Charge
0
InChI
InChI=1S/C8H10ClNO.ClH/c1-4-3-6(11)8(10)5(2)7(4)9;/h3,11H,10H2,1-2H3;1H
InChIKey
FQXYFSATLRRGRO-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(O)c(c(c1Cl)C)N.Cl
Isomeric Smiles
c1(c(c(cc(c1Cl)C)O)N)C.Cl
Calculated Properties
JChem
Acid pKa
9.961982
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.4567466
LogD (pH = 7.4)
2.4702313
Log P
2.471642
Molar Refractivity
47.6265
Polarizability
17.473356
Polar Surface Area
46.25
Rotatable Bonds
0
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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