Molecule

ID:15354

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅NO
Molecular Mass
165.2322
Exact Mass
165.11536411
Charge
0
InChI
InChI=1S/C10H15NO/c1-9-3-5-10(6-4-9)12-8-7-11-2/h3-6,11H,7-8H2,1-2H3
InChIKey
OPRIBHSVYMOUOG-UHFFFAOYSA-N
Canonic Smiles
CNCCOc1ccc(cc1)C
Isomeric Smiles
c1(ccc(cc1)C)OCCNC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.2118193
LogD (pH = 7.4)
-0.13567604
Log P
1.9645926
Molar Refractivity
50.2868
Polarizability
19.837193
Polar Surface Area
21.26
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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