Molecule

ID:127951

General Information
Structure
MolImage
Molecular Formula
C₂₆H₂₆N₂O₂
Molecular Mass
398.49684
Exact Mass
398.19942808
Charge
0
InChI
InChI=1S/C26H26N2O2/c1-19-10-11-23(21-7-3-2-6-20(19)21)26(29)24-18-28(25-9-5-4-8-22(24)25)13-12-27-14-16-30-17-15-27/h2-11,18H,12-17H2,1H3
InChIKey
ICKWPPYMDARCKJ-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccc(c2c1cccc2)C)c1cn(c2c1cccc2)CCN1CCOCC1
Isomeric Smiles
c1cccc2c1c(ccc2C)C(=O)c1c2ccccc2n(c1)CCN1CCOCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.066982
LogD (pH = 7.4)
5.0123444
Log P
5.0580792
Molar Refractivity
121.2017
Polarizability
49.05871
Polar Surface Area
34.47
Rotatable Bonds
5
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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