Molecule

ID:43339

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₄ClNO₃
Molecular Mass
337.84106
Exact Mass
337.14447131
Charge
0
InChI
InChI=1S/C18H24ClNO3/c1-17(2,3)23-16(22)20-10-4-9-18(12-20,13-21)11-14-5-7-15(19)8-6-14/h5-8,13H,4,9-12H2,1-3H3
InChIKey
UONHSCPAZDKZHV-UHFFFAOYSA-N
Canonic Smiles
O=CC1(CCCN(C1)C(=O)OC(C)(C)C)Cc1ccc(cc1)Cl
Isomeric Smiles
C(=O)(N1CC(C=O)(Cc2ccc(Cl)cc2)CCC1)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.899148
LogD (pH = 7.4)
3.899148
Log P
3.899148
Molar Refractivity
90.9928
Polarizability
35.54833
Polar Surface Area
46.61
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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