Molecule

ID:13370

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀N₂O₂
Molecular Mass
248.3208
Exact Mass
248.15247789
Charge
0
InChI
InChI=1S/C14H20N2O2/c1-16-6-4-12(5-7-16)15-9-11-2-3-13-14(8-11)18-10-17-13/h2-3,8,12,15H,4-7,9-10H2,1H3
InChIKey
PMZJBCZZCJVNPS-UHFFFAOYSA-N
Canonic Smiles
CN1CCC(CC1)NCc1ccc2c(c1)OCO2
Isomeric Smiles
c1(cc2c(cc1)OCO2)CNC1CCN(CC1)C
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-3.9406383
LogD (pH = 7.4)
-1.5112599
Log P
1.1816342
Molar Refractivity
70.524
Polarizability
28.002037
Polar Surface Area
33.73
Rotatable Bonds
3
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
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Molecule Details
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References
Bioactivity
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