Molecule

ID:35652

General Information
Structure
Molecular Formula
C₁₉H₂₆N₂O
Molecular Mass
298.42254
Exact Mass
298.20451346
Charge
0
InChI
InChI=1S/C19H26N2O/c1-2-3-10-21-11-4-6-17-13-16(8-9-19(17)21)14-20-15-18-7-5-12-22-18/h5,7-9,12-13,20H,2-4,6,10-11,14-15H2,1H3
InChIKey
PLTHSBGPWPHUGC-UHFFFAOYSA-N
Canonic Smiles
CCCCN1CCCc2c1ccc(c2)CNCc1ccco1
Isomeric Smiles
c12N(CCCc1cc(cc2)CNCc1occc1)CCCC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.670614
LogD (pH = 7.4)
3.554872
Log P
4.2327147
Molar Refractivity
92.5223
Polarizability
35.233936
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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