Molecule

ID:63559

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂ClNO₂
Molecular Mass
213.66078
Exact Mass
213.05565631
Charge
0
InChI
InChI=1S/C10H12ClNO2/c1-10(2,3)14-9(13)7-4-5-12-8(11)6-7/h4-6H,1-3H3
InChIKey
FPUSSPQEUANTGI-UHFFFAOYSA-N
Canonic Smiles
Clc1nccc(c1)C(=O)OC(C)(C)C
Isomeric Smiles
c1(ccnc(Cl)c1)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.6372313
LogD (pH = 7.4)
2.6372318
Log P
2.6372318
Molar Refractivity
55.5981
Polarizability
21.340263
Polar Surface Area
39.19
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
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Molecule Details
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References
Bioactivity
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