Molecule

ID:22804

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₀N₂O₃
Molecular Mass
300.3523
Exact Mass
300.14739251
Charge
0
InChI
InChI=1S/C17H20N2O3/c1-11-6-12(2)8-14(7-11)22-10-17(20)19-15-9-13(18)4-5-16(15)21-3/h4-9H,10,18H2,1-3H3,(H,19,20)
InChIKey
BUMGONIVXFUFNB-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1NC(=O)COc1cc(C)cc(c1)C)N
Isomeric Smiles
c1(NC(=O)COc2cc(cc(c2)C)C)cc(N)ccc1OC
Calculated Properties
JChem
Acid pKa
11.566123
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
2.7166166
LogD (pH = 7.4)
2.7673888
Log P
2.7681053
Molar Refractivity
88.1291
Polarizability
32.665707
Polar Surface Area
73.58
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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