Molecule

ID:128637

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₉N₃O₄
Molecular Mass
341.36116
Exact Mass
341.1375561
Charge
0
InChI
InChI=1S/C18H19N3O4/c1-19(2)10-5-11-20-15-6-3-4-7-17(15)25-16-9-8-13(21(23)24)12-14(16)18(20)22/h3-4,6-9,12H,5,10-11H2,1-2H3
InChIKey
CGYWLLGTCBIGSR-UHFFFAOYSA-N
Canonic Smiles
CN(CCCN1c2ccccc2Oc2c(C1=O)cc(cc2)[N+](=O)[O-])C
Isomeric Smiles
[O-][N+](=O)c1ccc2Oc3c(N(C(=O)c2c1)CCCN(C)C)cccc3
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
-0.84869665
LogD (pH = 7.4)
0.5831173
Log P
2.4748266
Molar Refractivity
95.0994
Polarizability
35.54702
Polar Surface Area
78.6
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
No Data Available
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Molecule Details
References
Bioactivity
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