Molecule

ID:79279

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₁ClN₂O₃
Molecular Mass
290.70174
Exact Mass
290.0458199
Charge
0
InChI
InChI=1S/C14H11ClN2O3/c15-13-11(2-1-7-17-13)14(19)20-10-5-3-9(4-6-10)8-12(16)18/h1-7H,8H2,(H2,16,18)
InChIKey
HOVAVPJELRHZDP-UHFFFAOYSA-N
Canonic Smiles
NC(=O)Cc1ccc(cc1)OC(=O)c1cccnc1Cl
Isomeric Smiles
O(c1ccc(cc1)CC(=O)N)C(=O)c1cccnc1Cl
Calculated Properties
JChem
Acid pKa
14.805283
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.0720358
LogD (pH = 7.4)
2.0720363
Log P
2.0720363
Molar Refractivity
74.6999
Polarizability
28.47059
Polar Surface Area
82.28
Rotatable Bonds
5
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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