Molecule

ID:125143

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₀N₂O
Molecular Mass
244.3321
Exact Mass
244.15756327
Charge
0
InChI
InChI=1S/C15H20N2O/c1-17(2)8-7-11-10-16-13-5-6-14-12(15(11)13)4-3-9-18-14/h5-6,10,16H,3-4,7-9H2,1-2H3
InChIKey
RMMYVKPVLLBYDW-UHFFFAOYSA-N
Canonic Smiles
CN(CCc1c[nH]c2c1c1CCCOc1cc2)C
Isomeric Smiles
CN(C)CCc1c[nH]c2ccc3OCCCc3c12
Calculated Properties
JChem
Acid pKa
17.8584
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.7763012
LogD (pH = 7.4)
0.44101134
Log P
2.6288517
Molar Refractivity
74.816
Polarizability
29.788279
Polar Surface Area
28.26
Rotatable Bonds
3
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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