Molecule

ID:42918

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₂ClNO₄
Molecular Mass
339.81388
Exact Mass
339.12373587
Charge
0
InChI
InChI=1S/C17H22ClNO4/c1-17(2,3)23-15(20)12-9-13(16(21)22-4)19-14(12)10-5-7-11(18)8-6-10/h5-8,12-14,19H,9H2,1-4H3
InChIKey
KAZMRFPFSQRNLR-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C1CC(C(N1)c1ccc(cc1)Cl)C(=O)OC(C)(C)C
Isomeric Smiles
C1(C(NC(C1)C(=O)OC)c1ccc(cc1)Cl)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.543782
LogD (pH = 7.4)
3.0049284
Log P
3.0155432
Molar Refractivity
86.5816
Polarizability
34.80846
Polar Surface Area
64.63
Rotatable Bonds
6
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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