Molecule

ID:132181

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅N₅O₄
Molecular Mass
281.2679
Exact Mass
281.11240399
Charge
0
InChI
InChI=1S/C11H15N5O4/c1-15-3-14-10-6(9(15)12)13-4-16(10)11-8(19)7(18)5(2-17)20-11/h3-5,7-8,11-12,17-19H,2H2,1H3/t5?,7?,8?,11-/m1/s1
InChIKey
GFYLSDSUCHVORB-DFKYELRASA-N
Canonic Smiles
OCC1O[C@H](C(C1O)O)n1cnc2c1ncn(c2=N)C
Isomeric Smiles
Cn1cnc2c(c1=N)ncn2[C@H]1C(C(C(O1)CO)O)O
Calculated Properties
JChem
Acid pKa
12.454004
H Acceptors
8
H Donor
4
LogD (pH = 5.5)
-2.1019344
LogD (pH = 7.4)
-2.0929205
Log P
-2.0928004
Molar Refractivity
79.0985
Polarizability
25.742102
Polar Surface Area
127.19
Rotatable Bonds
2
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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