Molecule

ID:40772

General Information
Structure
Molecular Formula
C₁₁H₁₂ClNO₃
Molecular Mass
241.67088
Exact Mass
241.05057093
Charge
0
InChI
InChI=1S/C11H12ClNO3/c1-2-16-10(14)7-13-11(15)8-3-5-9(12)6-4-8/h3-6H,2,7H2,1H3,(H,13,15)
InChIKey
XYVZUPHHGNHQHN-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CNC(=O)c1ccc(cc1)Cl
Isomeric Smiles
C(=O)(NCC(=O)OCC)c1ccc(cc1)Cl
Calculated Properties
JChem
Acid pKa
14.673969
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.6322922
LogD (pH = 7.4)
1.6322922
Log P
1.6322922
Molar Refractivity
60.4402
Polarizability
23.234488
Polar Surface Area
55.4
Rotatable Bonds
5
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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