Molecule

ID:19872

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅NO₂
Molecular Mass
181.2316
Exact Mass
181.11027873
Charge
0
InChI
InChI=1S/C10H15NO2/c1-8-3-4-9(11)10(7-8)13-6-5-12-2/h3-4,7H,5-6,11H2,1-2H3
InChIKey
HETIURDNYJSEHE-UHFFFAOYSA-N
Canonic Smiles
COCCOc1cc(C)ccc1N
Isomeric Smiles
c1(c(ccc(c1)C)N)OCCOC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.382005
LogD (pH = 7.4)
1.4521222
Log P
1.4530945
Molar Refractivity
53.3063
Polarizability
20.124409
Polar Surface Area
44.48
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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