Molecule

ID:31025

General Information
Structure
MolImage
Molecular Formula
C₈H₁₄ClNO₂
Molecular Mass
191.65526
Exact Mass
191.07130637
Charge
0
InChI
InChI=1S/C8H14ClNO2/c1-6-4-10(8(11)3-9)5-7(2)12-6/h6-7H,3-5H2,1-2H3
InChIKey
SMTSEWHPTUIWBY-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)N1CC(C)OC(C1)C
Isomeric Smiles
N1(C(=O)CCl)CC(OC(C1)C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.5690572
LogD (pH = 7.4)
0.5690572
Log P
0.5690572
Molar Refractivity
46.9246
Polarizability
18.534655
Polar Surface Area
29.54
Rotatable Bonds
1
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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