Molecule

ID:91933

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₀N₂O₄
Molecular Mass
340.3731
Exact Mass
340.14230713
Charge
0
InChI
InChI=1S/C19H20N2O4/c1-25-19-5-3-2-4-16(19)15-8-10-20(11-9-15)17-7-6-14(13-22)12-18(17)21(23)24/h2-7,12-13,15H,8-11H2,1H3
InChIKey
XFWTTYDGWHAYGZ-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1C1CCN(CC1)c1ccc(cc1[N+](=O)[O-])C=O
Isomeric Smiles
N1(c2c(cc(cc2)C=O)[N+](=O)[O-])CCC(c2ccccc2OC)CC1
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
3.84729
LogD (pH = 7.4)
3.847294
Log P
3.847294
Molar Refractivity
97.6441
Polarizability
35.745296
Polar Surface Area
75.36
Rotatable Bonds
5
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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