Molecule

ID:64574

General Information
Structure
MolImage
Molecular Formula
C₉H₁₇Cl₂NO₂
Molecular Mass
242.14278
Exact Mass
241.06363415
Charge
0
InChI
InChI=1S/C9H17Cl2NO2/c1-9(2,3)14-8(13)12(6-4-10)7-5-11/h4-7H2,1-3H3
InChIKey
FQZLNQAUUMSUHT-UHFFFAOYSA-N
Canonic Smiles
ClCCN(C(=O)OC(C)(C)C)CCCl
Isomeric Smiles
C(N(C(=O)OC(C)(C)C)CCCl)CCl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.4192944
LogD (pH = 7.4)
2.4192944
Log P
2.4192944
Molar Refractivity
58.3751
Polarizability
22.959808
Polar Surface Area
29.54
Rotatable Bonds
6
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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