Molecule

ID:19641

General Information
Structure
Molecular Formula
C₁₁H₁₆ClNO₃
Molecular Mass
245.70264
Exact Mass
245.08187106
Charge
0
InChI
InChI=1S/C11H16ClNO3/c1-14-4-5-15-6-7-16-11-3-2-9(12)8-10(11)13/h2-3,8H,4-7,13H2,1H3
InChIKey
GNCPRHLZFUCBAV-UHFFFAOYSA-N
Canonic Smiles
COCCOCCOc1ccc(cc1N)Cl
Isomeric Smiles
c1(cc(ccc1OCCOCCOC)Cl)N
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.4929786
LogD (pH = 7.4)
1.4966947
Log P
1.4967422
Molar Refractivity
64.1134
Polarizability
24.641241
Polar Surface Area
53.71
Rotatable Bonds
7
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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