Molecule

ID:48256

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₆N₂O₂
Molecular Mass
290.40054
Exact Mass
290.19942808
Charge
0
InChI
InChI=1S/C17H26N2O2/c1-3-19(14-8-6-5-7-9-14)16-11-10-13(12-15(16)18)17(20)21-4-2/h10-12,14H,3-9,18H2,1-2H3
InChIKey
RTPGZEGWMHRBFT-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1ccc(c(c1)N)N(C1CCCCC1)CC
Isomeric Smiles
c1(N(C2CCCCC2)CC)c(cc(C(=O)OCC)cc1)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.7618124
LogD (pH = 7.4)
3.7686393
Log P
3.768727
Molar Refractivity
87.7237
Polarizability
32.870377
Polar Surface Area
55.56
Rotatable Bonds
6
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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