Molecule

ID:13336

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₈N₂O
Molecular Mass
276.41702
Exact Mass
276.22016353
Charge
0
InChI
InChI=1S/C17H28N2O/c1-15(2)17-6-4-16(5-7-17)14-18-8-3-9-19-10-12-20-13-11-19/h4-7,15,18H,3,8-14H2,1-2H3
InChIKey
FXQBDTOYQSXFQF-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccc(cc1)CNCCCN1CCOCC1)C
Isomeric Smiles
C(NCCCN1CCOCC1)c1ccc(cc1)C(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.2727112
LogD (pH = 7.4)
0.18906681
Log P
2.6367075
Molar Refractivity
85.4558
Polarizability
33.553875
Polar Surface Area
24.5
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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