Molecule

ID:30882

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅ClN₂O₂
Molecular Mass
242.702
Exact Mass
242.08220541
Charge
0
InChI
InChI=1S/C11H14N2O2.ClH/c1-15-10-5-3-2-4-9(10)13-7-8(12)6-11(13)14;/h2-5,8H,6-7,12H2,1H3;1H
InChIKey
ZNSQXGPHTNIIDC-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1N1CC(CC1=O)N.Cl
Isomeric Smiles
N1(C(=O)CC(C1)N)c1c(OC)cccc1.Cl
Calculated Properties
JChem
Acid pKa
19.000977
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.7138813
LogD (pH = 7.4)
-1.2540932
Log P
0.118476
Molar Refractivity
56.2604
Polarizability
22.207556
Polar Surface Area
55.56
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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