Molecule

ID:61732

General Information
Structure
MolImage
Molecular Formula
C₂₂H₂₈N₂O₃
Molecular Mass
368.46932
Exact Mass
368.20999277
Charge
0
InChI
InChI=1S/C22H28N2O3/c1-17-8-9-20(14-18(17)2)23-16-22(26)10-12-24(13-11-22)21(25)27-15-19-6-4-3-5-7-19/h3-9,14,23,26H,10-13,15-16H2,1-2H3
InChIKey
FBMFQMXTZPYLLQ-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCC(CC1)(O)CNc1ccc(c(c1)C)C)OCc1ccccc1
Isomeric Smiles
C(=O)(N1CCC(CC1)(CNc1cc(c(cc1)C)C)O)OCc1ccccc1
Calculated Properties
JChem
Acid pKa
14.323296
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.2406778
LogD (pH = 7.4)
3.3031404
Log P
3.3039982
Molar Refractivity
108.4746
Polarizability
41.11028
Polar Surface Area
61.8
Rotatable Bonds
6
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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