Molecule

ID:125275

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅NO
Molecular Mass
165.2322
Exact Mass
165.11536411
Charge
0
InChI
InChI=1S/C10H15NO/c1-8(11)7-9-5-3-4-6-10(9)12-2/h3-6,8H,7,11H2,1-2H3
InChIKey
VBAHFEPKESUPDE-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1CC(N)C
Isomeric Smiles
O(c1ccccc1CC(N)C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.3697842
LogD (pH = 7.4)
-0.77214295
Log P
1.6465793
Molar Refractivity
50.1684
Polarizability
19.836973
Polar Surface Area
35.25
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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