Molecule

ID:121757

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃ClN₂O₃
Molecular Mass
256.68552
Exact Mass
256.06146997
Charge
0
InChI
InChI=1S/C11H9NO3.ClH.H3N/c1-15-9-4-2-8(3-5-9)12-10(13)6-7-11(12)14;;/h2-7H,1H3;1H;1H3
InChIKey
QVQFUKZHKNXEOY-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)N1C(=O)C=CC1=O.[NH4+].[Cl-]
Isomeric Smiles
N1(C(=O)C=CC1=O)c1ccc(cc1)OC.[NH4+].[Cl-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.0880594
LogD (pH = 7.4)
1.0880603
Log P
1.0880604
Molar Refractivity
54.4889
Polarizability
20.523779
Polar Surface Area
46.61
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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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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