Molecule

ID:117779

General Information
Structure
MolImage
Molecular Formula
C₈H₁₆ClNO₃
Molecular Mass
209.67054
Exact Mass
209.08187106
Charge
0
InChI
InChI=1S/C8H16ClNO3/c1-12-5-3-10(4-6-13-2)8(11)7-9/h3-7H2,1-2H3
InChIKey
GCGAPKCNIQGYQG-UHFFFAOYSA-N
Canonic Smiles
COCCN(C(=O)CCl)CCOC
Isomeric Smiles
C(=O)(N(CCOC)CCOC)CCl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-0.1395434
LogD (pH = 7.4)
-0.1395434
Log P
-0.1395434
Molar Refractivity
51.0995
Polarizability
19.989557
Polar Surface Area
38.77
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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