Molecule

ID:83885

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₁ClN₂O₂
Molecular Mass
274.70234
Exact Mass
274.05090528
Charge
0
InChI
InChI=1S/C14H11ClN2O2/c15-10-5-3-4-9(8-10)12-14(19-12,13(16)18)11-6-1-2-7-17-11/h1-8,12H,(H2,16,18)
InChIKey
HHKUVUHGTGBILU-UHFFFAOYSA-N
Canonic Smiles
Clc1cccc(c1)C1OC1(C(=O)N)c1ccccn1
Isomeric Smiles
O1C(C1c1cc(ccc1)Cl)(c1ccccn1)C(=O)N
Calculated Properties
JChem
Acid pKa
14.204052
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.190477
LogD (pH = 7.4)
2.1928844
Log P
2.1929152
Molar Refractivity
69.8316
Polarizability
27.59514
Polar Surface Area
68.51
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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