Molecule

ID:123922

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅ClN₂O₂
Molecular Mass
230.6913
Exact Mass
230.08220541
Charge
0
InChI
InChI=1S/C10H14N2O2.ClH/c1-14-9-5-3-2-4-8(9)12-10(13)6-7-11;/h2-5H,6-7,11H2,1H3,(H,12,13);1H
InChIKey
DUJQPMGOHOVIAU-UHFFFAOYSA-N
Canonic Smiles
NCCC(=O)Nc1ccccc1OC.Cl
Isomeric Smiles
N(C(=O)CCN)c1c(OC)cccc1.Cl
Calculated Properties
JChem
Acid pKa
12.45337
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.567854
LogD (pH = 7.4)
-1.3450143
Log P
0.3661678
Molar Refractivity
55.4433
Polarizability
21.094213
Polar Surface Area
64.35
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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