Molecule

ID:19564

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆ClNO₃
Molecular Mass
245.70264
Exact Mass
245.08187106
Charge
0
InChI
InChI=1S/C11H16ClNO3/c1-14-5-6-15-7-8-16-11-9(12)3-2-4-10(11)13/h2-4H,5-8,13H2,1H3
InChIKey
NTALMRHRUHHEMI-UHFFFAOYSA-N
Canonic Smiles
COCCOCCOc1c(N)cccc1Cl
Isomeric Smiles
c1(c(N)cccc1Cl)OCCOCCOC
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.4912008
LogD (pH = 7.4)
1.496672
Log P
1.4967422
Molar Refractivity
64.1134
Polarizability
24.666681
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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