Molecule

ID:67716

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₉NO₄
Molecular Mass
325.35846
Exact Mass
325.13140809
Charge
0
InChI
InChI=1S/C19H19NO4/c1-19(2)20(17(21)14-11-7-4-8-12-14)15(16(24-19)18(22)23)13-9-5-3-6-10-13/h3-12,15-16H,1-2H3,(H,22,23)/t15-,16+/m0/s1
InChIKey
AQOXAQNPPJHPAD-JKSUJKDBSA-N
Canonic Smiles
OC(=O)[C@@H]1OC(N([C@H]1c1ccccc1)C(=O)c1ccccc1)(C)C
Isomeric Smiles
O1C(N([C@H]([C@@H]1C(=O)O)c1ccccc1)C(=O)c1ccccc1)(C)C
Calculated Properties
JChem
Acid pKa
3.7629738
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.3766501
LogD (pH = 7.4)
-0.164382
Log P
3.114614
Molar Refractivity
88.7906
Polarizability
34.283333
Polar Surface Area
66.84
Rotatable Bonds
3
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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