Molecule

ID:34987

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₄N₂O
Molecular Mass
260.37456
Exact Mass
260.1888634
Charge
0
InChI
InChI=1S/C16H24N2O/c1-4-18(5-2)11-10-17-13(3)16-12-14-8-6-7-9-15(14)19-16/h6-9,12-13,17H,4-5,10-11H2,1-3H3
InChIKey
HSGIHYCFPOYUHW-UHFFFAOYSA-N
Canonic Smiles
CCN(CCNC(c1cc2c(o1)cccc2)C)CC
Isomeric Smiles
c1(oc2c(c1)cccc2)C(NCCN(CC)CC)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.6276481
LogD (pH = 7.4)
0.8811316
Log P
2.7595546
Molar Refractivity
79.9597
Polarizability
32.56789
Polar Surface Area
28.41
Rotatable Bonds
7
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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