Molecule

ID:13180

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅NO₂
Molecular Mass
181.2316
Exact Mass
181.11027873
Charge
0
InChI
InChI=1S/C10H15NO2/c1-3-9(12-5-1)7-11-8-10-4-2-6-13-10/h1,3,5,10-11H,2,4,6-8H2
InChIKey
KWUIUZNTUGNFOF-UHFFFAOYSA-N
Canonic Smiles
C1COC(C1)CNCc1ccco1
Isomeric Smiles
C1CC(OC1)CNCc1ccco1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.4756345
LogD (pH = 7.4)
0.2587568
Log P
1.0104303
Molar Refractivity
49.9516
Polarizability
19.729288
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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