Molecule

ID:48259

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₈N₂O₂
Molecular Mass
282.33702
Exact Mass
282.13682783
Charge
0
InChI
InChI=1S/C17H18N2O2/c1-2-21-17(20)13-7-8-16(14(18)11-13)19-10-9-12-5-3-4-6-15(12)19/h3-8,11H,2,9-10,18H2,1H3
InChIKey
QMJMYYNGBFGUNC-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1ccc(c(c1)N)N1CCc2c1cccc2
Isomeric Smiles
N1(c2c(cc(C(=O)OCC)cc2)N)c2c(CC1)cccc2
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.207961
LogD (pH = 7.4)
3.2080934
Log P
3.208095
Molar Refractivity
84.2248
Polarizability
31.333735
Polar Surface Area
55.56
Rotatable Bonds
4
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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