Molecule

ID:51158

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₁ClN₂O₃
Molecular Mass
276.75974
Exact Mass
276.12407022
Charge
0
InChI
InChI=1S/C12H21ClN2O3/c1-12(2,3)18-11(17)14-9-4-6-15(7-5-9)10(16)8-13/h9H,4-8H2,1-3H3,(H,14,17)
InChIKey
ULSBBPVLLBKLLQ-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)N1CCC(CC1)NC(=O)OC(C)(C)C
Isomeric Smiles
N1(C(=O)CCl)CCC(NC(=O)OC(C)(C)C)CC1
Calculated Properties
JChem
Acid pKa
14.348405
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.6576828
LogD (pH = 7.4)
0.6576828
Log P
0.6576828
Molar Refractivity
69.2673
Polarizability
27.13202
Polar Surface Area
58.64
Rotatable Bonds
4
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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