Molecule

ID:33479

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅N₃O₃
Molecular Mass
273.2872
Exact Mass
273.11134136
Charge
0
InChI
InChI=1S/C14H15N3O3/c18-10-11-1-3-12(4-2-11)14-15-13(20-16-14)9-17-5-7-19-8-6-17/h1-4,10H,5-9H2
InChIKey
KXPWUBCJSOFXFS-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cc1)c1noc(n1)CN1CCOCC1
Isomeric Smiles
n1c(noc1CN1CCOCC1)c1ccc(C=O)cc1
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
1.6076531
LogD (pH = 7.4)
1.6617808
Log P
1.6625165
Molar Refractivity
85.6134
Polarizability
28.322262
Polar Surface Area
68.46
Rotatable Bonds
4
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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