Molecule

ID:130868

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇N₃O₅
Molecular Mass
271.26978
Exact Mass
271.11682066
Charge
0
InChI
InChI=1S/C11H16N2O2.HNO3/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2;2-1(3)4/h5,7-8,10H,3-4,6H2,1-2H3;(H,2,3,4)/t8-,10-;/m0./s1
InChIKey
PRZXEPJJHQYOGF-GNAZCLTHSA-N
Canonic Smiles
[O-][N+](=O)O.CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C
Isomeric Smiles
CC[C@H]1[C@H](COC1=O)Cc1cncn1C.[N+](=O)(O)[O-]
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.44190395
LogD (pH = 7.4)
0.9023369
Log P
0.94975144
Molar Refractivity
56.5342
Polarizability
21.845087
Polar Surface Area
44.12
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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