Molecule

ID:31423

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅ClN₂O₃
Molecular Mass
246.6907
Exact Mass
246.07712003
Charge
0
InChI
InChI=1S/C10H14N2O3.ClH/c1-7-6-8(2)12(10(15)11-7)5-3-4-9(13)14;/h6H,3-5H2,1-2H3,(H,13,14);1H
InChIKey
LZWZZXOJJGXSDV-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(C)nc(=O)n1CCCC(=O)O.Cl
Isomeric Smiles
c1(=O)n(c(cc(n1)C)C)CCCC(=O)O.Cl
Calculated Properties
JChem
Acid pKa
4.4120765
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.0860063
LogD (pH = 7.4)
-2.8431635
Log P
-0.1174103
Molar Refractivity
55.8101
Polarizability
20.691603
Polar Surface Area
69.97
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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