Molecule

ID:136391

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₁NO₃
Molecular Mass
227.30004
Exact Mass
227.15214354
Charge
0
InChI
InChI=1S/C12H21NO3/c1-2-16-11(14)7-12(8-15-9-12)13-10-5-3-4-6-10/h10,13H,2-9H2,1H3
InChIKey
JVFASVVFLWPIPA-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CC1(COC1)NC1CCCC1
Isomeric Smiles
CCOC(=O)CC1(COC1)NC1CCCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.4358296
LogD (pH = 7.4)
0.29422992
Log P
1.1445568
Molar Refractivity
60.0426
Polarizability
24.372103
Polar Surface Area
47.56
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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