Molecule

ID:75327

General Information
Structure
MolImage
Molecular Formula
C₈H₁₁Cl₂NO₂
Molecular Mass
224.08444
Exact Mass
223.01668396
Charge
0
InChI
InChI=1S/C8H10ClNO2.ClH/c1-11-7-3-4-10-6(5-9)8(7)12-2;/h3-4H,5H2,1-2H3;1H
InChIKey
YYRIKJFWBIEEDH-UHFFFAOYSA-N
Canonic Smiles
COc1c(OC)ccnc1CCl.Cl
Isomeric Smiles
O(c1c(c(ncc1)CCl)OC)C.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.89094085
LogD (pH = 7.4)
1.1053092
Log P
1.1089449
Molar Refractivity
46.1722
Polarizability
18.174417
Polar Surface Area
31.35
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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