Molecule

ID:38292

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅N₃O₃
Molecular Mass
237.2551
Exact Mass
237.11134136
Charge
0
InChI
InChI=1S/C11H15N3O3/c15-10(16)7-14-6-9(5-12-14)13-11(17)8-3-1-2-4-8/h5-6,8H,1-4,7H2,(H,13,17)(H,15,16)
InChIKey
BWPLQDUKXAUMRH-UHFFFAOYSA-N
Canonic Smiles
OC(=O)Cn1ncc(c1)NC(=O)C1CCCC1
Isomeric Smiles
n1(ncc(c1)NC(=O)C1CCCC1)CC(=O)O
Calculated Properties
JChem
Acid pKa
3.4181066
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.2887781
LogD (pH = 7.4)
-2.6136997
Log P
0.7857331
Molar Refractivity
72.5102
Polarizability
22.94313
Polar Surface Area
84.22
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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