Molecule

ID:21331

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₁NO₄
Molecular Mass
327.37434
Exact Mass
327.14705816
Charge
0
InChI
InChI=1S/C19H21NO4/c1-22-19(21)18-11-17(12-20-18)24-16-9-7-15(8-10-16)23-13-14-5-3-2-4-6-14/h2-10,17-18,20H,11-13H2,1H3/t17-,18-/m0/s1
InChIKey
RZVGUEIWAOZIDM-ROUUACIJSA-N
Canonic Smiles
COC(=O)[C@H]1NC[C@H](C1)Oc1ccc(cc1)OCc1ccccc1
Isomeric Smiles
N1[C@H](C(=O)OC)C[C@H](Oc2ccc(OCc3ccccc3)cc2)C1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.7174901
LogD (pH = 7.4)
2.7446313
Log P
2.8020084
Molar Refractivity
89.487
Polarizability
35.722317
Polar Surface Area
56.79
Rotatable Bonds
7
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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