Molecule
ID:23649
General Information
Molecular Formula
C₂₀H₂₂N₂O₄
Molecular Mass
354.39968
Exact Mass
354.15795719
Charge
0
InChI
InChI=1S/C20H22N2O4/c1-2-22(17-7-4-3-5-8-17)20(26)15-11-13-16(14-12-15)21-18(23)9-6-10-19(24)25/h3-5,7-8,11-14H,2,6,9-10H2,1H3,(H,21,23)(H,24,25)
InChIKey
NFKMSRFBARRFHW-UHFFFAOYSA-N
Canonic Smiles
CCN(C(=O)c1ccc(cc1)NC(=O)CCCC(=O)O)c1ccccc1
Isomeric Smiles
C(=O)(N(c1ccccc1)CC)c1ccc(NC(=O)CCCC(=O)O)cc1
Calculated Properties
JChem
Acid pKa
3.9480817
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.2337592
LogD (pH = 7.4)
-0.39494166
Log P
2.7931464
Molar Refractivity
99.8133
Polarizability
37.541744
Polar Surface Area
86.71
Rotatable Bonds
8
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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