Molecule

ID:31635

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇NO₂
Molecular Mass
195.25818
Exact Mass
195.12592879
Charge
0
InChI
InChI=1S/C11H17NO2/c1-9(12)10-3-5-11(6-4-10)14-8-7-13-2/h3-6,9H,7-8,12H2,1-2H3
InChIKey
XGICYQSSRAINFD-UHFFFAOYSA-N
Canonic Smiles
COCCOc1ccc(cc1)C(N)C
Isomeric Smiles
c1(ccc(cc1)OCCOC)C(N)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.6949843
LogD (pH = 7.4)
-0.9362673
Log P
1.3109425
Molar Refractivity
56.4569
Polarizability
22.426943
Polar Surface Area
44.48
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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