Molecule

ID:79066

General Information
Structure
MolImage
Molecular Formula
C₁₄H₉ClN₂O₂
Molecular Mass
272.68646
Exact Mass
272.03525522
Charge
0
InChI
InChI=1S/C14H9ClN2O2/c15-13-12(2-1-9-17-13)14(18)19-11-5-3-10(4-6-11)7-8-16/h1-6,9H,7H2
InChIKey
MMWLJJHFYIVPRG-UHFFFAOYSA-N
Canonic Smiles
N#CCc1ccc(cc1)OC(=O)c1cccnc1Cl
Isomeric Smiles
N#CCc1ccc(cc1)OC(=O)c1cccnc1Cl
Calculated Properties
JChem
Acid pKa
14.032298
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.9369273
LogD (pH = 7.4)
2.9369278
Log P
2.9369278
Molar Refractivity
71.857
Polarizability
27.08009
Polar Surface Area
62.98
Rotatable Bonds
4
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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