Molecule

ID:34988

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₆N₂O₂
Molecular Mass
290.40054
Exact Mass
290.19942808
Charge
0
InChI
InChI=1S/C17H26N2O2/c1-5-19(6-2)11-10-18-13(3)16-12-14-8-7-9-15(20-4)17(14)21-16/h7-9,12-13,18H,5-6,10-11H2,1-4H3
InChIKey
VQWNIGSJCYQLSN-UHFFFAOYSA-N
Canonic Smiles
CCN(CCNC(c1cc2c(o1)c(OC)ccc2)C)CC
Isomeric Smiles
o1c(cc2c1c(OC)ccc2)C(NCCN(CC)CC)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.7929369
LogD (pH = 7.4)
0.7147042
Log P
2.6018834
Molar Refractivity
86.4229
Polarizability
35.04985
Polar Surface Area
37.64
Rotatable Bonds
8
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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