Molecule

ID:55281

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₄ClNO₃
Molecular Mass
277.78756
Exact Mass
277.14447131
Charge
0
InChI
InChI=1S/C13H23NO3.ClH/c1-16-13(15)10-11-2-6-14(7-3-11)12-4-8-17-9-5-12;/h11-12H,2-10H2,1H3;1H
InChIKey
HZRZMTYPQZOTFU-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CC1CCN(CC1)C1CCOCC1.Cl
Isomeric Smiles
N1(C2CCOCC2)CCC(CC(=O)OC)CC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-2.8748465
LogD (pH = 7.4)
-1.7864984
Log P
0.55896175
Molar Refractivity
66.1897
Polarizability
26.208767
Polar Surface Area
38.77
Rotatable Bonds
4
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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