Molecule

ID:117920

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₇N₃O₄
Molecular Mass
327.33458
Exact Mass
327.12190604
Charge
0
InChI
InChI=1S/C17H17N3O4/c1-3-24-17(23)14-10-18-20(11(14)2)9-8-19-15(21)12-6-4-5-7-13(12)16(19)22/h4-7,10H,3,8-9H2,1-2H3
InChIKey
CPNIIHDPRDAVRX-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cnn(c1C)CCN1C(=O)c2c(C1=O)cccc2
Isomeric Smiles
N1(C(=O)c2c(C1=O)cccc2)CCn1c(c(cn1)C(=O)OCC)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.7064978
LogD (pH = 7.4)
1.7065259
Log P
1.7065263
Molar Refractivity
99.1275
Polarizability
32.31988
Polar Surface Area
81.5
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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