Molecule

ID:119657

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₉N₅O₇
Molecular Mass
393.35136
Exact Mass
393.12844797
Charge
0
InChI
InChI=1S/C16H19N5O7/c1-7(22)25-4-10-12(26-8(2)23)13(27-9(3)24)16(28-10)21-6-20-11-14(17)18-5-19-15(11)21/h5-6,10,12-13,16H,4H2,1-3H3,(H2,17,18,19)/t10-,12-,13-,16-/m0/s1
InChIKey
GCVZNVTXNUTBFB-SDPXSBNPSA-N
Canonic Smiles
CC(=O)O[C@H]1[C@@H](OC(=O)C)[C@@H](O[C@@H]1n1cnc2c1ncnc2N)COC(=O)C
Isomeric Smiles
n1([C@@H]2[C@H]([C@H]([C@@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)c2c(nc1)c(ncn2)N
Calculated Properties
JChem
Acid pKa
18.535484
H Acceptors
8
H Donor
1
LogD (pH = 5.5)
-0.8827387
LogD (pH = 7.4)
-0.76924974
Log P
-0.76758766
Molar Refractivity
90.6501
Polarizability
36.117744
Polar Surface Area
157.75
Rotatable Bonds
8
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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