Molecule

ID:46847

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₂ClNO₃
Molecular Mass
251.75028
Exact Mass
251.12882125
Charge
0
InChI
InChI=1S/C11H21NO3.ClH/c1-14-11(13)5-9-15-8-4-10-2-6-12-7-3-10;/h10,12H,2-9H2,1H3;1H
InChIKey
RGNQKOYFZKBVRN-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CCOCCC1CCNCC1.Cl
Isomeric Smiles
C(=O)(CCOCCC1CCNCC1)OC.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.7751722
LogD (pH = 7.4)
-2.3187826
Log P
0.45641342
Molar Refractivity
58.218
Polarizability
23.25672
Polar Surface Area
47.56
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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