Molecule

ID:10534

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅N₃O₃
Molecular Mass
273.2872
Exact Mass
273.11134136
Charge
0
InChI
InChI=1S/C14H15N3O3/c1-2-11-12(19-8-18-11)7-10(1)13-16-14(20-17-13)9-3-5-15-6-4-9/h1-2,7,9,15H,3-6,8H2
InChIKey
WJLRNCOTWSCIOZ-UHFFFAOYSA-N
Canonic Smiles
N1CCC(CC1)c1onc(n1)c1ccc2c(c1)OCO2
Isomeric Smiles
o1c(nc(n1)c1ccc2c(c1)OCO2)C1CCNCC1
Calculated Properties
JChem
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-1.2537519
LogD (pH = 7.4)
-0.24119268
Log P
2.0603075
Molar Refractivity
82.7244
Polarizability
28.123716
Polar Surface Area
69.41
Rotatable Bonds
2
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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