Molecule

ID:48243

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₀N₂O₂
Molecular Mass
260.3315
Exact Mass
260.15247789
Charge
0
InChI
InChI=1S/C15H20N2O2/c1-4-9-17(10-5-2)14-8-7-12(11-13(14)16)15(18)19-6-3/h4-5,7-8,11H,1-2,6,9-10,16H2,3H3
InChIKey
SNODIFCGYZTWKH-UHFFFAOYSA-N
Canonic Smiles
C=CCN(c1ccc(cc1N)C(=O)OCC)CC=C
Isomeric Smiles
c1(c(ccc(C(=O)OCC)c1)N(CC=C)CC=C)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.0745728
LogD (pH = 7.4)
3.075141
Log P
3.0751483
Molar Refractivity
80.2863
Polarizability
29.434635
Polar Surface Area
55.56
Rotatable Bonds
8
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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