Molecule

ID:72094

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁ClN₂O₂
Molecular Mass
226.65954
Exact Mass
226.05090528
Charge
0
InChI
InChI=1S/C10H11ClN2O2/c1-6(11)10(15)13-8-5-3-2-4-7(8)9(12)14/h2-6H,1H3,(H2,12,14)(H,13,15)
InChIKey
XWCPEJWYBOULRM-UHFFFAOYSA-N
Canonic Smiles
O=C(C(Cl)C)Nc1ccccc1C(=O)N
Isomeric Smiles
c1(c(NC(=O)C(Cl)C)cccc1)C(=O)N
Calculated Properties
JChem
Acid pKa
12.040287
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.8177043
LogD (pH = 7.4)
1.8176953
Log P
1.8177046
Molar Refractivity
59.2465
Polarizability
21.771917
Polar Surface Area
72.19
Rotatable Bonds
3
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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