Molecule

ID:11199

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇NO₃
Molecular Mass
211.25758
Exact Mass
211.12084341
Charge
0
InChI
InChI=1S/C11H17NO3/c13-7-6-12-8-10(14)9-15-11-4-2-1-3-5-11/h1-5,10,12-14H,6-9H2
InChIKey
QKKATYAZWMJMGW-UHFFFAOYSA-N
Canonic Smiles
OCCNCC(COc1ccccc1)O
Isomeric Smiles
O(CC(O)CNCCO)c1ccccc1
Calculated Properties
JChem
Acid pKa
14.074764
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-2.9226372
LogD (pH = 7.4)
-1.475999
Log P
0.13073418
Molar Refractivity
57.5004
Polarizability
22.979761
Polar Surface Area
61.72
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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