Molecule

ID:42848

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₀ClNO₂
Molecular Mass
233.735
Exact Mass
233.11825657
Charge
0
InChI
InChI=1S/C11H20ClNO2/c1-11(2,3)15-10(14)13-6-4-9(8-12)5-7-13/h9H,4-8H2,1-3H3
InChIKey
CTSABEXZMPJSGO-UHFFFAOYSA-N
Canonic Smiles
ClCC1CCN(CC1)C(=O)OC(C)(C)C
Isomeric Smiles
C(=O)(N1CCC(CC1)CCl)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.2235668
LogD (pH = 7.4)
2.2235668
Log P
2.2235668
Molar Refractivity
61.2818
Polarizability
24.016022
Polar Surface Area
29.54
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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