Molecule
ID:58057
General Information
Molecular Formula
C₇H₁₄ClNO
Molecular Mass
163.64516
Exact Mass
163.07639175
Charge
0
InChI
InChI=1S/C7H14ClNO/c1-6(2)3-4-9-7(10)5-8/h6H,3-5H2,1-2H3,(H,9,10)
InChIKey
GFWKKBRUDMMGRH-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)NCCC(C)C
Isomeric Smiles
C(=O)(NCCC(C)C)CCl
Calculated Properties
JChem
Acid pKa
13.4970255
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.3416497
LogD (pH = 7.4)
1.3416493
Log P
1.3416497
Molar Refractivity
42.538
Polarizability
16.679893
Polar Surface Area
29.1
Rotatable Bonds
4
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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