Molecule

ID:45658

General Information
Structure
Molecular Formula
C₉H₁₇Cl₂NO₂
Molecular Mass
242.14278
Exact Mass
241.06363415
Charge
0
InChI
InChI=1S/C9H16ClNO2.ClH/c10-6-9(12)13-5-3-8-2-1-4-11-7-8;/h8,11H,1-7H2;1H
InChIKey
FYWIOHGBSJTOAE-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)OCCC1CCCNC1.Cl
Isomeric Smiles
C(=O)(OCCC1CNCCC1)CCl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.2255025
LogD (pH = 7.4)
-1.849452
Log P
1.0088197
Molar Refractivity
51.7414
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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