Molecule

ID:125419

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₀N₂O₂
Molecular Mass
260.3315
Exact Mass
260.15247789
Charge
0
InChI
InChI=1S/C15H20N2O2/c1-4-17(3)9-8-12-10-16-13-6-5-7-14(15(12)13)19-11(2)18/h5-7,10,16H,4,8-9H2,1-3H3
InChIKey
OMDKHOOGGJRLLX-UHFFFAOYSA-N
Canonic Smiles
CCN(CCc1c[nH]c2c1c(ccc2)OC(=O)C)C
Isomeric Smiles
CCN(C)CCc1c[nH]c2c1c(ccc2)OC(=O)C
Calculated Properties
JChem
Acid pKa
17.05539
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.169592
LogD (pH = 7.4)
-0.09180968
Log P
2.2661347
Molar Refractivity
76.3232
Polarizability
30.63705
Polar Surface Area
45.33
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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