Molecule

ID:61749

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₀N₂O₂
Molecular Mass
260.3315
Exact Mass
260.15247789
Charge
0
InChI
InChI=1S/C15H20N2O2/c1-11-3-4-13(9-12(11)2)17-10-15(19-14(17)18)5-7-16-8-6-15/h3-4,9,16H,5-8,10H2,1-2H3
InChIKey
STAAIWVSWVKDSQ-UHFFFAOYSA-N
Canonic Smiles
O=C1OC2(CN1c1ccc(c(c1)C)C)CCNCC2
Isomeric Smiles
C1(=O)N(c2cc(c(cc2)C)C)CC2(O1)CCNCC2
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.1017928
LogD (pH = 7.4)
-0.39869642
Log P
2.1171582
Molar Refractivity
73.8199
Polarizability
28.700996
Polar Surface Area
41.57
Rotatable Bonds
1
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
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References
Bioactivity
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