Molecule

ID:14961

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₉ClN₂O₂
Molecular Mass
258.74446
Exact Mass
258.11350554
Charge
0
InChI
InChI=1S/C12H19ClN2O2/c1-12(2)11(17)14-8-5-3-4-6-9(8)15(12)10(16)7-13/h8-9H,3-7H2,1-2H3,(H,14,17)
InChIKey
ATSKZXJJPRDUNH-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)N1C2CCCCC2NC(=O)C1(C)C
Isomeric Smiles
N1(C2C(NC(=O)C1(C)C)CCCC2)C(=O)CCl
Calculated Properties
JChem
Acid pKa
13.427601
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.0935985
LogD (pH = 7.4)
1.0935981
Log P
1.0935985
Molar Refractivity
65.1376
Polarizability
25.68183
Polar Surface Area
49.41
Rotatable Bonds
1
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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