Molecule

ID:80429

General Information
Structure
MolImage
Molecular Formula
C₈H₁₆ClNO
Molecular Mass
177.67174
Exact Mass
177.09204182
Charge
0
InChI
InChI=1S/C8H16ClNO/c1-6(2)10(7(3)4)8(11)5-9/h6-7H,5H2,1-4H3
InChIKey
CPQZQZNYTZXXBB-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)N(C(C)C)C(C)C
Isomeric Smiles
N(C(=O)CCl)(C(C)C)C(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.5011736
LogD (pH = 7.4)
1.5011736
Log P
1.5011736
Molar Refractivity
47.3473
Polarizability
18.512001
Polar Surface Area
20.31
Rotatable Bonds
3
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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