Molecule

ID:22794

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₀N₂O₃
Molecular Mass
300.3523
Exact Mass
300.14739251
Charge
0
InChI
InChI=1S/C17H20N2O3/c1-12-7-8-13(18)11-15(12)19-17(20)14-5-3-4-6-16(14)22-10-9-21-2/h3-8,11H,9-10,18H2,1-2H3,(H,19,20)
InChIKey
KPNRDRWRDCTPSC-UHFFFAOYSA-N
Canonic Smiles
COCCOc1ccccc1C(=O)Nc1cc(N)ccc1C
Isomeric Smiles
C(=O)(c1c(OCCOC)cccc1)Nc1cc(N)ccc1C
Calculated Properties
JChem
Acid pKa
12.569471
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
2.5228212
LogD (pH = 7.4)
2.5446901
Log P
2.5449793
Molar Refractivity
88.8398
Polarizability
32.734386
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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