Molecule

ID:30935

General Information
Structure
MolImage
Molecular Formula
C₈H₉Cl₂NO₂
Molecular Mass
222.06856
Exact Mass
221.00103389
Charge
0
InChI
InChI=1S/C8H8ClNO2.ClH/c9-5-3-7-8(4-6(5)10)12-2-1-11-7;/h3-4H,1-2,10H2;1H
InChIKey
YJIYYMLVZMYMSL-UHFFFAOYSA-N
Canonic Smiles
Nc1cc2OCCOc2cc1Cl.Cl
Isomeric Smiles
c1c2c(cc(c1N)Cl)OCCO2.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.2600964
LogD (pH = 7.4)
1.2614794
Log P
1.261497
Molar Refractivity
46.5206
Polarizability
17.698414
Polar Surface Area
44.48
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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