Molecule

ID:21771

General Information
Structure
Molecular Formula
C₁₉H₂₄N₂O₇
Molecular Mass
392.40306
Exact Mass
392.15835112
Charge
0
InChI
InChI=1S/C19H24N2O7/c22-16(7-4-8-17(23)24)21-10-9-20-19(26)15(21)13-18(25)28-12-11-27-14-5-2-1-3-6-14/h1-3,5-6,15H,4,7-13H2,(H,20,26)(H,23,24)
InChIKey
NIZRZGBEEUPSAH-UHFFFAOYSA-N
Canonic Smiles
O=C(CC1C(=O)NCCN1C(=O)CCCC(=O)O)OCCOc1ccccc1
Isomeric Smiles
N1(C(C(=O)NCC1)CC(=O)OCCOc1ccccc1)C(=O)CCCC(=O)O
Calculated Properties
JChem
Acid pKa
4.000939
H Acceptors
6
H Donor
2
LogD (pH = 5.5)
-1.3820034
LogD (pH = 7.4)
-3.031952
Log P
0.12658302
Molar Refractivity
96.4387
Polarizability
38.058586
Polar Surface Area
122.24
Rotatable Bonds
11
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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