Molecule

ID:60652

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₂N₂O
Molecular Mass
246.34798
Exact Mass
246.17321333
Charge
0
InChI
InChI=1S/C15H22N2O/c1-9(2)16-13-7-12-11(6-14(13)18)10(3)8-15(4,5)17-12/h6-9,16-18H,1-5H3
InChIKey
YEEZPNUQNJARBV-UHFFFAOYSA-N
Canonic Smiles
CC(Nc1cc2NC(C)(C)C=C(c2cc1O)C)C
Isomeric Smiles
c12c(C(=CC(N1)(C)C)C)cc(c(c2)NC(C)C)O
Calculated Properties
JChem
Acid pKa
10.938106
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
1.9507333
LogD (pH = 7.4)
2.6912892
Log P
2.746309
Molar Refractivity
79.8061
Polarizability
28.897167
Polar Surface Area
44.29
Rotatable Bonds
2
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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