Molecule

ID:22916

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₃ClN₂O
Molecular Mass
260.71882
Exact Mass
260.07164073
Charge
0
InChI
InChI=1S/C14H13ClN2O/c1-9-12(16)7-4-8-13(9)17-14(18)10-5-2-3-6-11(10)15/h2-8H,16H2,1H3,(H,17,18)
InChIKey
DUHCTLRIKPDCEU-UHFFFAOYSA-N
Canonic Smiles
Cc1c(cccc1N)NC(=O)c1ccccc1Cl
Isomeric Smiles
C(=O)(c1c(Cl)cccc1)Nc1c(c(N)ccc1)C
Calculated Properties
JChem
Acid pKa
12.577877
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.348273
LogD (pH = 7.4)
3.3535995
Log P
3.3536708
Molar Refractivity
76.1379
Polarizability
27.721552
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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