Molecule

ID:129692

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅NO
Molecular Mass
165.2322
Exact Mass
165.11536411
Charge
0
InChI
InChI=1S/C10H15NO/c1-2-7-12-10-8-11-5-3-9(10)4-6-11/h1,9-10H,3-8H2/t10-/m0/s1
InChIKey
XVFJONKUSLSKSW-JTQLQIEISA-N
Canonic Smiles
C#CCO[C@H]1CN2CCC1CC2
Isomeric Smiles
O([C@@H]1C2CCN(CC2)C1)CC#C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-2.3355896
LogD (pH = 7.4)
-0.64793724
Log P
0.7282815
Molar Refractivity
48.563
Polarizability
18.811037
Polar Surface Area
12.47
Rotatable Bonds
2
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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