Molecule

ID:47516

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₈ClNO₅
Molecular Mass
315.74942
Exact Mass
315.08735036
Charge
0
InChI
InChI=1S/C14H17NO5.ClH/c1-18-13(16)10-5-3-4-6-12(10)20-9-7-11(15-8-9)14(17)19-2;/h3-6,9,11,15H,7-8H2,1-2H3;1H/t9-,11-;/m0./s1
InChIKey
UCWOSDLGLLSJLX-ROLPUNSJSA-N
Canonic Smiles
COC(=O)[C@H]1NC[C@H](C1)Oc1ccccc1C(=O)OC.Cl
Isomeric Smiles
Cl.[C@@H]1(C[C@H](NC1)C(=O)OC)Oc1ccccc1C(=O)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.22512317
LogD (pH = 7.4)
1.1902738
Log P
1.2386836
Molar Refractivity
70.4365
Polarizability
28.088997
Polar Surface Area
73.86
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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