Molecule

ID:51105

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃ClN₂O₂
Molecular Mass
240.68612
Exact Mass
240.06655535
Charge
0
InChI
InChI=1S/C11H13ClN2O2/c12-8-11(16)14-13-10(15)7-6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,13,15)(H,14,16)
InChIKey
LPJUAUOATRAECL-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)NNC(=O)CCc1ccccc1
Isomeric Smiles
C(=O)(NNC(=O)CCc1ccccc1)CCl
Calculated Properties
JChem
Acid pKa
8.292241
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.1958944
LogD (pH = 7.4)
1.1504388
Log P
1.1965146
Molar Refractivity
61.4079
Polarizability
23.817295
Polar Surface Area
58.2
Rotatable Bonds
5
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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