Molecule

ID:18755

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₁NO₂
Molecular Mass
247.33274
Exact Mass
247.15722892
Charge
0
InChI
InChI=1S/C15H21NO2/c1-13-4-2-3-9-16(13)10-11-18-15-7-5-14(12-17)6-8-15/h5-8,12-13H,2-4,9-11H2,1H3
InChIKey
LHPGRQBHPDXRKT-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cc1)OCCN1CCCCC1C
Isomeric Smiles
N1(C(C)CCCC1)CCOc1ccc(C=O)cc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.09296185
LogD (pH = 7.4)
1.864537
Log P
2.8136625
Molar Refractivity
73.6851
Polarizability
28.430777
Polar Surface Area
29.54
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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