Molecule

ID:29254

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇NO₂
Molecular Mass
195.25818
Exact Mass
195.12592879
Charge
0
InChI
InChI=1S/C11H17NO2/c1-9(8-12-2)14-11-7-5-4-6-10(11)13-3/h4-7,9,12H,8H2,1-3H3
InChIKey
HOMLYHFLPRVBPD-UHFFFAOYSA-N
Canonic Smiles
CNCC(Oc1ccccc1OC)C
Isomeric Smiles
c1(OC(CNC)C)c(OC)cccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.477537
LogD (pH = 7.4)
-0.46979383
Log P
1.7100749
Molar Refractivity
56.1276
Polarizability
22.416924
Polar Surface Area
30.49
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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