Molecule

ID:38254

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃ClN₂O₂
Molecular Mass
228.67542
Exact Mass
228.06655535
Charge
0
InChI
InChI=1S/C10H12N2O2.ClH/c1-7(11)6-12-8-4-2-3-5-9(8)14-10(12)13;/h2-5,7H,6,11H2,1H3;1H
InChIKey
YMQDCMPWMCARNM-UHFFFAOYSA-N
Canonic Smiles
CC(Cn1c(=O)oc2c1cccc2)N.Cl
Isomeric Smiles
n1(c(=O)oc2c1cccc2)CC(N)C.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.1523342
LogD (pH = 7.4)
-1.0786124
Log P
0.8152839
Molar Refractivity
51.7487
Polarizability
20.360113
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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