Molecule

ID:103334

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂ClNO₂
Molecular Mass
213.66078
Exact Mass
213.05565631
Charge
0
InChI
InChI=1S/C10H12ClNO2/c1-7(2)14-10(13)12-9-5-3-4-8(11)6-9/h3-7H,1-2H3,(H,12,13)
InChIKey
CWJSHJJYOPWUGX-UHFFFAOYSA-N
Canonic Smiles
CC(O/C(=N/c1cccc(c1)Cl)/O)C
Isomeric Smiles
CC(C)O/C(=N/c1cccc(Cl)c1)/O
Calculated Properties
JChem
Acid pKa
5.2152767
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.4359937
LogD (pH = 7.4)
1.7337171
Log P
3.902065
Molar Refractivity
57.5408
Polarizability
21.597403
Polar Surface Area
41.82
Rotatable Bonds
3
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
References
Bioactivity
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