Molecule

ID:12205

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅NO
Molecular Mass
165.2322
Exact Mass
165.11536411
Charge
0
InChI
InChI=1S/C10H15NO/c1-8(2)12-10-5-3-9(7-11)4-6-10/h3-6,8H,7,11H2,1-2H3
InChIKey
BHCAOBYOKNTDLI-UHFFFAOYSA-N
Canonic Smiles
NCc1ccc(cc1)OC(C)C
Isomeric Smiles
C(N)c1ccc(cc1)OC(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.2734208
LogD (pH = 7.4)
-0.33621806
Log P
1.714726
Molar Refractivity
50.162
Polarizability
19.912554
Polar Surface Area
35.25
Rotatable Bonds
3
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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