Molecule

ID:108962

General Information
Structure
MolImage
Molecular Formula
C₈H₁₁ClNO₂
Molecular Mass
188.63144
Exact Mass
188.04783128
Charge
0
InChI
InChI=1S/C8H11ClNO2/c1-11-6-3-4-8(12-2)7(5-6)9-10/h3-5H,10H2,1-2H3
InChIKey
KEVIRLXNPMYRAC-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(c(c1)[Cl]N)OC
Isomeric Smiles
COc1ccc(OC)c([Cl]N)c1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
Molar Refractivity
49.0733
Polar Surface Area
44.48
Rotatable Bonds
3
Lipinski's Rule of Five
false
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
References
Bioactivity
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