Molecule

ID:127243

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₂N₂O
Molecular Mass
246.34798
Exact Mass
246.17321333
Charge
0
InChI
InChI=1S/C15H22N2O/c1-5-14-12(8-9-17(2)3)13-10-11(18-4)6-7-15(13)16-14/h6-7,10,16H,5,8-9H2,1-4H3
InChIKey
ZEYRDXUWJDGTLD-UHFFFAOYSA-N
Canonic Smiles
CCc1[nH]c2c(c1CCN(C)C)cc(cc2)OC
Isomeric Smiles
CCc1[nH]c2ccc(OC)cc2c1CCN(C)C
Calculated Properties
JChem
Acid pKa
17.431862
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.5331843
LogD (pH = 7.4)
0.7041494
Log P
2.8664782
Molar Refractivity
76.5791
Polarizability
30.528809
Polar Surface Area
28.26
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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