Molecule

ID:123794

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁ClN₂O₃
Molecular Mass
242.65894
Exact Mass
242.0458199
Charge
0
InChI
InChI=1S/C10H11ClN2O3/c11-8-5-6(12)1-2-7(8)10(16)13-4-3-9(14)15/h1-2,5H,3-4,12H2,(H,13,16)(H,14,15)
InChIKey
HYKDWQHRQYSVTB-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCNC(=O)c1ccc(cc1Cl)N
Isomeric Smiles
c1(c(cc(cc1)N)Cl)C(=O)NCCC(=O)O
Calculated Properties
JChem
Acid pKa
3.8919053
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-1.22467
LogD (pH = 7.4)
-2.7508795
Log P
0.22531055
Molar Refractivity
60.3223
Polarizability
22.354403
Polar Surface Area
92.42
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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