Molecule

ID:76101

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₂N₂O₂
Molecular Mass
262.34738
Exact Mass
262.16812795
Charge
0
InChI
InChI=1S/C15H22N2O2/c1-15(2,3)19-14(18)17-9-12(13(16)10-17)11-7-5-4-6-8-11/h4-8,12-13H,9-10,16H2,1-3H3/t12-,13-/m1/s1
InChIKey
UEGLRNLEEDBVTH-CHWSQXEVSA-N
Canonic Smiles
N[C@@H]1CN(C[C@@H]1c1ccccc1)C(=O)OC(C)(C)C
Isomeric Smiles
N1(C[C@H](c2ccccc2)[C@@H](C1)N)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.0464697
LogD (pH = 7.4)
0.27638957
Log P
1.8546602
Molar Refractivity
74.7163
Polarizability
29.598095
Polar Surface Area
55.56
Rotatable Bonds
3
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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