Molecule

ID:63691

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₁NO₂
Molecular Mass
259.34344
Exact Mass
259.15722892
Charge
0
InChI
InChI=1S/C16H21NO2/c1-2-19-16(18)15-13-8-9-14(15)17(11-13)10-12-6-4-3-5-7-12/h3-7,13-15H,2,8-11H2,1H3/t13-,14-,15?/m1/s1
InChIKey
HDLAPPYOWZTRFN-GRKKQISMSA-N
Canonic Smiles
CCOC(=O)C1[C@@H]2CC[C@H]1N(C2)Cc1ccccc1
Isomeric Smiles
C1[C@@H]2C(C(=O)OCC)[C@@H](CN2Cc2ccccc2)C1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.63576543
LogD (pH = 7.4)
0.9249381
Log P
2.5975697
Molar Refractivity
74.7565
Polarizability
29.57671
Polar Surface Area
29.54
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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