Molecule
ID:124064
General Information
Molecular Formula
C₁₅H₂₂N₂O₂
Molecular Mass
262.34738
Exact Mass
262.16812795
Charge
0
InChI
InChI=1S/C15H22N2O2/c1-19-15(18)8-5-9-16-10-12-17(13-11-16)14-6-3-2-4-7-14/h2-4,6-7H,5,8-13H2,1H3
InChIKey
PMMRWJHMHSTMOI-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CCCN1CCN(CC1)c1ccccc1
Isomeric Smiles
N1(CCN(CC1)CCCC(=O)OC)c1ccccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.0046193707
LogD (pH = 7.4)
1.6741508
Log P
2.0779605
Molar Refractivity
76.8448
Polarizability
29.604254
Polar Surface Area
32.78
Rotatable Bonds
6
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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