Molecule

ID:45657

General Information
Structure
MolImage
Molecular Formula
C₉H₁₇Cl₂NO₂
Molecular Mass
242.14278
Exact Mass
241.06363415
Charge
0
InChI
InChI=1S/C9H16ClNO2.ClH/c10-7-9(12)13-6-3-8-1-4-11-5-2-8;/h8,11H,1-7H2;1H
InChIKey
OTHIGRKWHLZILI-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)OCCC1CCNCC1.Cl
Isomeric Smiles
C(=O)(OCCC1CCNCC1)CCl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.3007197
LogD (pH = 7.4)
-1.8443297
Log P
0.930866
Molar Refractivity
51.8184
Polarizability
20.73189
Polar Surface Area
38.33
Rotatable Bonds
5
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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