Molecule

ID:79830

General Information
Structure
MolImage
Molecular Formula
C₃₂H₄₂N₄O₈
Molecular Mass
610.69788
Exact Mass
610.30026432
Charge
0
InChI
InChI=1S/C32H42N4O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-33-32(38)27-21-23(34(39)40)19-25-29(27)30-26(31(25)37)20-24(35(41)42)22-28(30)36(43)44/h19-22H,2-18H2,1H3,(H,33,38)
InChIKey
ZXGXTPKJPUDICA-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCCCCCNC(=O)c1cc(cc2c1c1c(C2=O)cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
Isomeric Smiles
[N+](=O)(c1cc(cc2c1c1c(cc(cc1C2=O)[N+](=O)[O-])C(=O)NCCCCCCCCCCCCCCCCCC)[N+](=O)[O-])[O-]
Calculated Properties
JChem
Acid pKa
13.788795
H Acceptors
8
H Donor
1
LogD (pH = 5.5)
9.548707
LogD (pH = 7.4)
9.548708
Log P
9.548708
Molar Refractivity
169.9485
Polarizability
64.21032
Polar Surface Area
183.63
Rotatable Bonds
21
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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