Molecule

ID:89095

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₁NO₂
Molecular Mass
247.33274
Exact Mass
247.15722892
Charge
0
InChI
InChI=1S/C15H21NO2/c17-15(13-6-7-13)14-11-16(8-9-18-14)10-12-4-2-1-3-5-12/h1-5,13-15,17H,6-11H2
InChIKey
MIXKOCBGTXYXIY-UHFFFAOYSA-N
Canonic Smiles
OC(C1OCCN(C1)Cc1ccccc1)C1CC1
Isomeric Smiles
N1(CCOC(C1)C(C1CC1)O)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
13.914906
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.21911627
LogD (pH = 7.4)
1.6996379
Log P
1.9061515
Molar Refractivity
71.2499
Polarizability
28.28138
Polar Surface Area
32.7
Rotatable Bonds
4
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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