Molecule

ID:74293

General Information
Structure
Molecular Formula
C₁₇H₂₆N₂O₂
Molecular Mass
290.40054
Exact Mass
290.19942808
Charge
0
InChI
InChI=1S/C17H26N2O2/c1-17(2,3)21-16(20)19-11-9-15(10-12-19)18-13-14-7-5-4-6-8-14/h4-8,15,18H,9-13H2,1-3H3
InChIKey
IUJZIXJMTQNFOG-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCC(CC1)NCc1ccccc1)OC(C)(C)C
Isomeric Smiles
N1(CCC(NCc2ccccc2)CC1)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.74725693
LogD (pH = 7.4)
0.11313836
Log P
2.458546
Molar Refractivity
84.4575
Polarizability
33.282654
Polar Surface Area
41.57
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
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Molecule Details
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References
Bioactivity
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