Molecule

ID:29657

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈ClNO₂
Molecular Mass
243.72982
Exact Mass
243.1026065
Charge
0
InChI
InChI=1S/C12H18ClNO2/c1-15-9-4-7-14-8-10-16-12-6-3-2-5-11(12)13/h2-3,5-6,14H,4,7-10H2,1H3
InChIKey
XNJNZRAYUZZNBP-UHFFFAOYSA-N
Canonic Smiles
COCCCNCCOc1ccccc1Cl
Isomeric Smiles
c1(c(OCCNCCCOC)cccc1)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.1036623
LogD (pH = 7.4)
-0.003034255
Log P
2.0682
Molar Refractivity
65.9593
Polarizability
26.157928
Polar Surface Area
30.49
Rotatable Bonds
8
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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