Molecule

ID:22845

General Information
Structure
Molecular Formula
C₁₇H₂₀N₂O₃
Molecular Mass
300.3523
Exact Mass
300.14739251
Charge
0
InChI
InChI=1S/C17H20N2O3/c1-3-12-4-7-14(8-5-12)22-11-17(20)19-15-10-13(18)6-9-16(15)21-2/h4-10H,3,11,18H2,1-2H3,(H,19,20)
InChIKey
CHQKBRBHZYIMKF-UHFFFAOYSA-N
Canonic Smiles
CCc1ccc(cc1)OCC(=O)Nc1cc(N)ccc1OC
Isomeric Smiles
c1(NC(=O)COc2ccc(cc2)CC)cc(N)ccc1OC
Calculated Properties
JChem
Acid pKa
11.566123
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
2.6485267
LogD (pH = 7.4)
2.698547
Log P
2.6992526
Molar Refractivity
87.6889
Polarizability
32.741005
Polar Surface Area
73.58
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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