Molecule

ID:129350

General Information
Structure
MolImage
Molecular Formula
C₂₃H₃₂N₂O₂
Molecular Mass
368.51238
Exact Mass
368.24637827
Charge
0
InChI
InChI=1S/C23H32N2O2/c1-26-22-11-10-21(19-23(22)27-2)12-14-25-17-15-24(16-18-25)13-6-9-20-7-4-3-5-8-20/h3-5,7-8,10-11,19H,6,9,12-18H2,1-2H3
InChIKey
UVSWWUWQVAQPJR-UHFFFAOYSA-N
Canonic Smiles
COc1cc(CCN2CCN(CC2)CCCc2ccccc2)ccc1OC
Isomeric Smiles
COc1c(OC)cc(CCN2CCN(CCCc3ccccc3)CC2)cc1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.1473261
LogD (pH = 7.4)
2.8453698
Log P
4.192784
Molar Refractivity
112.3008
Polarizability
43.736404
Polar Surface Area
24.94
Rotatable Bonds
9
Lipinski's Rule of Five
true
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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