Molecule

ID:23652

General Information
Structure
Molecular Formula
C₁₆H₂₂N₂O₄
Molecular Mass
306.35688
Exact Mass
306.15795719
Charge
0
InChI
InChI=1S/C16H22N2O4/c1-11(2)10-15(20)18-13-8-6-12(7-9-13)17-14(19)4-3-5-16(21)22/h6-9,11H,3-5,10H2,1-2H3,(H,17,19)(H,18,20)(H,21,22)
InChIKey
LUVWGZIGZLLECO-UHFFFAOYSA-N
Canonic Smiles
CC(CC(=O)Nc1ccc(cc1)NC(=O)CCCC(=O)O)C
Isomeric Smiles
C(=O)(Nc1ccc(NC(=O)CCCC(=O)O)cc1)CC(C)C
Calculated Properties
JChem
Acid pKa
4.1099186
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
0.74594104
LogD (pH = 7.4)
-0.9424565
Log P
2.1502216
Molar Refractivity
85.0548
Polarizability
31.681505
Polar Surface Area
95.5
Rotatable Bonds
8
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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