Molecule

ID:120415

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇NO₃
Molecular Mass
211.25758
Exact Mass
211.12084341
Charge
0
InChI
InChI=1S/C11H17NO3/c1-4-12(5-2)8-9-6-7-10(15-9)11(13)14-3/h6-7H,4-5,8H2,1-3H3
InChIKey
BZGPZAHMZYQRBB-UHFFFAOYSA-N
Canonic Smiles
CCN(Cc1ccc(o1)C(=O)OC)CC
Isomeric Smiles
c1(oc(cc1)CN(CC)CC)C(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-1.1258136
LogD (pH = 7.4)
0.644568
Log P
1.6119832
Molar Refractivity
58.3916
Polarizability
22.364824
Polar Surface Area
42.68
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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