Molecule

ID:20049

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆ClNO₂
Molecular Mass
229.70324
Exact Mass
229.08695644
Charge
0
InChI
InChI=1S/C11H16ClNO2/c1-2-5-14-6-7-15-11-4-3-9(13)8-10(11)12/h3-4,8H,2,5-7,13H2,1H3
InChIKey
OKVUPXBWTGIMBC-UHFFFAOYSA-N
Canonic Smiles
CCCOCCOc1ccc(cc1Cl)N
Isomeric Smiles
c1(cc(N)ccc1OCCOCCC)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.398289
LogD (pH = 7.4)
2.4227273
Log P
2.423048
Molar Refractivity
62.3425
Polarizability
23.941906
Polar Surface Area
44.48
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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