Molecule

ID:107343

General Information
Structure
Molecular Formula
C₁₈H₁₉NO₄
Molecular Mass
313.34776
Exact Mass
313.13140809
Charge
0
InChI
InChI=1S/C18H19NO4/c1-2-23-18(22)16(12-13-8-10-15(20)11-9-13)19-17(21)14-6-4-3-5-7-14/h3-11,16,20H,2,12H2,1H3,(H,19,21)/t16-/m0/s1
InChIKey
SRLROPAFMUDDRC-INIZCTEOSA-N
Canonic Smiles
CCOC(=O)[C@@H](NC(=O)c1ccccc1)Cc1ccc(cc1)O
Isomeric Smiles
CCOC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccccc1
Calculated Properties
JChem
LogD (pH = 7.4)
2.95
LogD (pH = 5.5)
2.95
Log P
2.95
Rotatable Bonds
7
H Donor
2
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
9.50
Polar Surface Area
75.63
Polarizability
33.39
Molar Refractivity
86.73
LOG S
-3.83
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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