Molecule

ID:127978

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₂N₂O
Molecular Mass
294.39078
Exact Mass
294.17321333
Charge
0
InChI
InChI=1S/C19H22N2O/c1-20(2)12-7-13-21-17-10-5-3-8-15(17)14-19(22)16-9-4-6-11-18(16)21/h3-6,8-11H,7,12-14H2,1-2H3
InChIKey
PXHIRIWYXDUSMR-UHFFFAOYSA-N
Canonic Smiles
CN(CCCN1c2ccccc2CC(=O)c2c1cccc2)C
Isomeric Smiles
O=C1c2c(cccc2)N(c2c(cccc2)C1)CCCN(C)C
Calculated Properties
JChem
Acid pKa
14.412811
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.2550534
LogD (pH = 7.4)
2.0055058
Log P
3.1341934
Molar Refractivity
91.3921
Polarizability
34.82942
Polar Surface Area
23.55
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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