Molecule

ID:102405

General Information
Structure
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Molecular Formula
C₁₄H₁₆N₂O₂
Molecular Mass
244.28904
Exact Mass
244.12117776
Charge
0
InChI
InChI=1S/C14H16N2O2/c1-17-13-7-9(3-5-11(13)15)10-4-6-12(16)14(8-10)18-2/h3-8H,15-16H2,1-2H3
InChIKey
JRBJSXQPQWSCCF-UHFFFAOYSA-N
Canonic Smiles
COc1cc(ccc1N)c1ccc(c(c1)OC)N
Isomeric Smiles
COc1c(N)ccc(c1)c1cc(OC)c(N)cc1
Calculated Properties
JChem
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.6003734
LogD (pH = 7.4)
1.6466603
Log P
1.6472768
Molar Refractivity
73.5214
Polarizability
28.605333
Polar Surface Area
70.5
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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