Molecule

ID:19571

General Information
Structure
MolImage
Molecular Formula
C₈H₁₁Cl₂NO
Molecular Mass
208.08504
Exact Mass
207.02176934
Charge
0
InChI
InChI=1S/C8H10ClNO.ClH/c1-2-11-8-6(9)4-3-5-7(8)10;/h3-5H,2,10H2,1H3;1H
InChIKey
USFXFGLRPRMYRE-UHFFFAOYSA-N
Canonic Smiles
CCOc1c(N)cccc1Cl.Cl
Isomeric Smiles
c1(c(N)cccc1Cl)OCC.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.9416991
LogD (pH = 7.4)
1.9474277
Log P
1.9475012
Molar Refractivity
46.775
Polarizability
17.720495
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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