Molecule

ID:45938

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂ClNO₂
Molecular Mass
213.66078
Exact Mass
213.05565631
Charge
0
InChI
InChI=1S/C10H12ClNO2/c1-13-7-2-3-10(9(11)4-7)14-8-5-12-6-8/h2-4,8,12H,5-6H2,1H3
InChIKey
CDZUZPOJUGQJDA-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(c(c1)Cl)OC1CNC1
Isomeric Smiles
c1(c(cc(cc1)OC)Cl)OC1CNC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.0502838
LogD (pH = 7.4)
0.6077044
Log P
1.7857866
Molar Refractivity
54.2148
Polarizability
21.749645
Polar Surface Area
30.49
Rotatable Bonds
3
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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