Molecule

ID:13357

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇NO₂
Molecular Mass
195.25818
Exact Mass
195.12592879
Charge
0
InChI
InChI=1S/C11H17NO2/c1-9-4-5-11(14-9)8-12-7-10-3-2-6-13-10/h4-5,10,12H,2-3,6-8H2,1H3
InChIKey
GFRLOYQDBHXKHZ-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(o1)CNCC1CCCO1
Isomeric Smiles
C1(CNCc2ccc(o2)C)OCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.317615
LogD (pH = 7.4)
0.41600996
Log P
1.2099917
Molar Refractivity
55.1013
Polarizability
21.49337
Polar Surface Area
34.4
Rotatable Bonds
4
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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