Molecule
ID:79188
General Information
Molecular Formula
C₈H₁₅Cl₂NO
Molecular Mass
212.1168
Exact Mass
211.05306947
Charge
0
InChI
InChI=1S/C8H15Cl2NO/c1-8(2,6-10)7(12)11-5-3-4-9/h3-6H2,1-2H3,(H,11,12)
InChIKey
PVEPLMHMDLDGJS-UHFFFAOYSA-N
Canonic Smiles
ClCCCNC(=O)C(CCl)(C)C
Isomeric Smiles
O=C(C(CCl)(C)C)NCCCCl
Calculated Properties
JChem
Acid pKa
13.61033
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.7911942
LogD (pH = 7.4)
1.7911942
Log P
1.7911944
Molar Refractivity
52.0994
Polarizability
20.389004
Polar Surface Area
29.1
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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