Molecule

ID:53023

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂ClNO₂
Molecular Mass
213.66078
Exact Mass
213.05565631
Charge
0
InChI
InChI=1S/C10H12ClNO2/c1-14-10(13)9(12)6-7-2-4-8(11)5-3-7/h2-5,9H,6,12H2,1H3
InChIKey
FBHPVOLRIXZZMD-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(Cc1ccc(cc1)Cl)N
Isomeric Smiles
c1(CC(C(=O)OC)N)ccc(cc1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.36641946
LogD (pH = 7.4)
1.6938047
Log P
1.8275537
Molar Refractivity
54.6902
Polarizability
21.861067
Polar Surface Area
52.32
Rotatable Bonds
4
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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