Molecule

ID:47528

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₈ClNO₄
Molecular Mass
299.75002
Exact Mass
299.09243574
Charge
0
InChI
InChI=1S/C14H17NO4.ClH/c1-9(16)10-3-5-11(6-4-10)19-12-7-13(15-8-12)14(17)18-2;/h3-6,12-13,15H,7-8H2,1-2H3;1H/t12-,13-;/m0./s1
InChIKey
FEAIEBOFKWWORY-QNTKWALQSA-N
Canonic Smiles
COC(=O)[C@H]1NC[C@H](C1)Oc1ccc(cc1)C(=O)C.Cl
Isomeric Smiles
Cl.[C@@H]1(C[C@H](NC1)C(=O)OC)Oc1ccc(cc1)C(=O)C
Calculated Properties
JChem
Acid pKa
16.271059
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.16637805
LogD (pH = 7.4)
0.7504782
Log P
0.7928542
Molar Refractivity
68.814
Polarizability
27.370255
Polar Surface Area
64.63
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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