Molecule

ID:123769

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃ClN₂O₂
Molecular Mass
228.67542
Exact Mass
228.06655535
Charge
0
InChI
InChI=1S/C10H13ClN2O2/c1-13(4-5-14)10(15)8-3-2-7(12)6-9(8)11/h2-3,6,14H,4-5,12H2,1H3
InChIKey
QAVQMUAUJOVNSZ-UHFFFAOYSA-N
Canonic Smiles
OCCN(C(=O)c1ccc(cc1Cl)N)C
Isomeric Smiles
c1(C(=O)N(CCO)C)c(cc(cc1)N)Cl
Calculated Properties
JChem
Acid pKa
15.574232
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.3555253
LogD (pH = 7.4)
0.35624576
Log P
0.35625497
Molar Refractivity
60.7273
Polarizability
22.38455
Polar Surface Area
66.56
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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