Molecule

ID:15408

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₈N₂O
Molecular Mass
276.41702
Exact Mass
276.22016353
Charge
0
InChI
InChI=1S/C17H28N2O/c1-19-11-6-5-9-16(19)10-12-20-17(14-18)13-15-7-3-2-4-8-15/h2-4,7-8,16-17H,5-6,9-14,18H2,1H3
InChIKey
JURREHZWAKPHTH-UHFFFAOYSA-N
Canonic Smiles
NCC(Cc1ccccc1)OCCC1CCCCN1C
Isomeric Smiles
N1(C(CCOC(Cc2ccccc2)CN)CCCC1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.9681766
LogD (pH = 7.4)
-1.6243446
Log P
2.3892045
Molar Refractivity
84.6968
Polarizability
33.55776
Polar Surface Area
38.49
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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