Molecule

ID:116171

General Information
Structure
Molecular Formula
C₂₃H₂₂N₂O₂
Molecular Mass
358.43298
Exact Mass
358.16812795
Charge
0
InChI
InChI=1S/C23H22N2O2/c1-25(2)16-22(19-12-14-24-15-13-19)23(26)20-8-10-21(11-9-20)27-17-18-6-4-3-5-7-18/h3-16H,17H2,1-2H3/b22-16+
InChIKey
GIUSHALTNVVAIW-CJLVFECKSA-N
Canonic Smiles
CN(/C=C(/C(=O)c1ccc(cc1)OCc1ccccc1)\c1ccncc1)C
Isomeric Smiles
C(=C\N(C)C)(/C(=O)c1ccc(OCc2ccccc2)cc1)\c1ccncc1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.6439419
LogD (pH = 7.4)
3.8883023
Log P
3.8924384
Molar Refractivity
108.184
Polarizability
41.376324
Polar Surface Area
42.43
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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