Molecule

ID:22700

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₀N₂O₂
Molecular Mass
284.3529
Exact Mass
284.15247789
Charge
0
InChI
InChI=1S/C17H20N2O2/c1-11-6-12(2)8-15(7-11)21-10-17(20)19-16-9-14(18)5-4-13(16)3/h4-9H,10,18H2,1-3H3,(H,19,20)
InChIKey
QZJWZLJXKJSEEJ-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1cc(N)ccc1C)COc1cc(C)cc(c1)C
Isomeric Smiles
c1(NC(=O)COc2cc(cc(c2)C)C)cc(N)ccc1C
Calculated Properties
JChem
Acid pKa
12.587014
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.4135878
LogD (pH = 7.4)
3.438863
Log P
3.439198
Molar Refractivity
86.7071
Polarizability
31.91269
Polar Surface Area
64.35
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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