Molecule

ID:71032

General Information
Structure
Molecular Formula
C₁₉H₂₆N₂O₂
Molecular Mass
314.42194
Exact Mass
314.19942808
Charge
0
InChI
InChI=1S/C19H26N2O2/c20-14-16-4-8-18(9-5-16)22-12-2-1-3-13-23-19-10-6-17(15-21)7-11-19/h4-11H,1-3,12-15,20-21H2
InChIKey
WOAXDZXKNMNEBO-UHFFFAOYSA-N
Canonic Smiles
NCc1ccc(cc1)OCCCCCOc1ccc(cc1)CN
Isomeric Smiles
c1(ccc(cc1)CN)OCCCCCOc1ccc(cc1)CN
Calculated Properties
JChem
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-3.2434497
LogD (pH = 7.4)
-1.3707198
Log P
2.733052
Molar Refractivity
94.1312
Polarizability
37.24104
Polar Surface Area
70.5
Rotatable Bonds
10
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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