Molecule

ID:23199

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇ClN₂O
Molecular Mass
240.72918
Exact Mass
240.10294085
Charge
0
InChI
InChI=1S/C12H17ClN2O/c1-2-3-4-5-12(16)15-9-6-7-10(13)11(14)8-9/h6-8H,2-5,14H2,1H3,(H,15,16)
InChIKey
BUKGMKBMFHGUHF-UHFFFAOYSA-N
Canonic Smiles
CCCCCC(=O)Nc1ccc(c(c1)N)Cl
Isomeric Smiles
c1(cc(NC(=O)CCCCC)ccc1Cl)N
Calculated Properties
JChem
Acid pKa
14.083954
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.0199142
LogD (pH = 7.4)
3.0203116
Log P
3.0203168
Molar Refractivity
68.8561
Polarizability
25.582348
Polar Surface Area
55.12
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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