Molecule

ID:45720

General Information
Structure
Molecular Formula
C₁₃H₂₄ClNO₃
Molecular Mass
277.78756
Exact Mass
277.14447131
Charge
0
InChI
InChI=1S/C13H23NO3.ClH/c15-13(12-4-7-16-8-5-12)17-9-3-11-2-1-6-14-10-11;/h11-12,14H,1-10H2;1H
InChIKey
LVCBDMHQTXCEEJ-UHFFFAOYSA-N
Canonic Smiles
O=C(C1CCOCC1)OCCC1CCCNC1.Cl
Isomeric Smiles
C(=O)(C1CCOCC1)OCCC1CNCCC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.3418405
LogD (pH = 7.4)
-1.96579
Log P
0.89248174
Molar Refractivity
65.7389
Polarizability
26.208767
Polar Surface Area
47.56
Rotatable Bonds
5
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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