Molecule

ID:92633

General Information
Structure
MolImage
Molecular Formula
C₉H₁₅N₅O₂
Molecular Mass
225.2477
Exact Mass
225.12257475
Charge
0
InChI
InChI=1S/C9H15N5O2/c1-2-16-8(15)7-14-11-9(10-12-14)13-5-3-4-6-13/h2-7H2,1H3
InChIKey
IHVDKCOQMAJMMZ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)Cn1nnc(n1)N1CCCC1
Isomeric Smiles
n1(nc(N2CCCC2)nn1)CC(=O)OCC
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
1.029677
LogD (pH = 7.4)
1.029677
Log P
1.029677
Molar Refractivity
70.743
Polarizability
21.405296
Polar Surface Area
73.14
Rotatable Bonds
5
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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