Molecule

ID:22707

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₃ClN₂O
Molecular Mass
260.71882
Exact Mass
260.07164073
Charge
0
InChI
InChI=1S/C14H13ClN2O/c1-9-6-7-10(16)8-13(9)17-14(18)11-4-2-3-5-12(11)15/h2-8H,16H2,1H3,(H,17,18)
InChIKey
WBEYRMYSVPHKHK-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)NC(=O)c1ccccc1Cl)C
Isomeric Smiles
C(=O)(c1c(Cl)cccc1)Nc1cc(N)ccc1C
Calculated Properties
JChem
Acid pKa
12.5332775
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.336398
LogD (pH = 7.4)
3.3534458
Log P
3.3536708
Molar Refractivity
76.1379
Polarizability
27.720705
Polar Surface Area
55.12
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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