Molecule

ID:20799

General Information
Structure
Molecular Formula
C₂₂H₂₃N₃O
Molecular Mass
345.43752
Exact Mass
345.18411237
Charge
0
InChI
InChI=1S/C22H23N3O/c1-2-7-19(8-3-1)24-25-22-20-9-5-4-6-18(20)10-11-21(22)26-16-17-12-14-23-15-13-17/h1-11,17,23H,12-16H2/b25-24+
InChIKey
OZQZLTMCDHGVSH-OCOZRVBESA-N
Canonic Smiles
N1CCC(CC1)COc1ccc2c(c1/N=N/c1ccccc1)cccc2
Isomeric Smiles
c1(/N=N/c2ccccc2)c2c(ccc1OCC1CCNCC1)cccc2
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.083882
LogD (pH = 7.4)
2.544654
Log P
5.315304
Molar Refractivity
108.2648
Polarizability
41.675007
Polar Surface Area
45.98
Rotatable Bonds
5
Lipinski's Rule of Five
false
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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