Molecule

ID:33194

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂ClNO
Molecular Mass
149.61858
Exact Mass
149.06074169
Charge
0
InChI
InChI=1S/C6H12ClNO/c1-5(2)8(3)6(9)4-7/h5H,4H2,1-3H3
InChIKey
KRNJHVCQNNAHIF-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)N(C(C)C)C
Isomeric Smiles
C(=O)(N(C(C)C)C)CCl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.7277906
LogD (pH = 7.4)
0.7277906
Log P
0.7277906
Molar Refractivity
38.1799
Polarizability
14.8507805
Polar Surface Area
20.31
Rotatable Bonds
2
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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