Molecule

ID:58470

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅NO
Molecular Mass
165.2322
Exact Mass
165.11536411
Charge
0
InChI
InChI=1S/C10H15NO/c12-11-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-9,12H,1-5H2/b11-10-
InChIKey
RABVIFXMFZFITE-KHPPLWFESA-N
Canonic Smiles
O/N=C/1\C2CC3CC1CC(C2)C3
Isomeric Smiles
C1C2CC3CC1CC(/C/3=N/O)C2
Calculated Properties
JChem
Acid pKa
11.600184
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.2297125
LogD (pH = 7.4)
2.230199
Log P
2.230233
Molar Refractivity
46.7109
Polarizability
18.380129
Polar Surface Area
32.59
Rotatable Bonds
0
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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