Molecule

ID:47475

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₄ClNO₅
Molecular Mass
369.83986
Exact Mass
369.13430055
Charge
0
InChI
InChI=1S/C18H24ClNO5/c1-10-6-11(2)15(13(19)7-10)24-12-8-14(16(21)22)20(9-12)17(23)25-18(3,4)5/h6-7,12,14H,8-9H2,1-5H3,(H,21,22)/t12-,14-/m0/s1
InChIKey
OZULOJCMCARKFN-JSGCOSHPSA-N
Canonic Smiles
Cc1cc(C)c(c(c1)Cl)O[C@H]1C[C@H](N(C1)C(=O)OC(C)(C)C)C(=O)O
Isomeric Smiles
[C@@H]1(C[C@H](N(C1)C(=O)OC(C)(C)C)C(=O)O)Oc1c(cc(cc1Cl)C)C
Calculated Properties
JChem
Acid pKa
3.737343
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.240666
LogD (pH = 7.4)
0.7133524
Log P
4.003393
Molar Refractivity
93.5244
Polarizability
36.611725
Polar Surface Area
76.07
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
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Molecule Details
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References
Bioactivity
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