Molecule

ID:53228

General Information
Structure
MolImage
Molecular Formula
C₇H₁₁N₃O
Molecular Mass
153.18174
Exact Mass
153.09021199
Charge
0
InChI
InChI=1S/C7H11N3O/c1-8-4-6-9-10-7(11-6)5-2-3-5/h5,8H,2-4H2,1H3
InChIKey
OROVAPUMNLCBIA-UHFFFAOYSA-N
Canonic Smiles
CNCc1nnc(o1)C1CC1
Isomeric Smiles
C1CC1c1oc(nn1)CNC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.1280978
LogD (pH = 7.4)
-0.6929834
Log P
-0.5109382
Molar Refractivity
41.3985
Polarizability
15.394365
Polar Surface Area
50.95
Rotatable Bonds
3
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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