Molecule

ID:84336

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉ClN₂O₂
Molecular Mass
282.76586
Exact Mass
282.11350554
Charge
0
InChI
InChI=1S/C14H19ClN2O2/c1-9(18)16-11-6-5-10(14(2,3)4)7-12(11)17-13(19)8-15/h5-7H,8H2,1-4H3,(H,16,18)(H,17,19)
InChIKey
RFBIINZIJULPTR-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)Nc1cc(ccc1NC(=O)C)C(C)(C)C
Isomeric Smiles
N(c1cc(ccc1NC(=O)C)C(C)(C)C)C(=O)CCl
Calculated Properties
JChem
Acid pKa
12.323004
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.5310667
LogD (pH = 7.4)
2.5310616
Log P
2.5310667
Molar Refractivity
79.2031
Polarizability
29.21592
Polar Surface Area
58.2
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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