Molecule

ID:125800

General Information
Structure
MolImage
Molecular Formula
C₉H₁₃N₃O₂
Molecular Mass
195.21842
Exact Mass
195.10077667
Charge
0
InChI
InChI=1S/C9H13N3O2/c1-3-5-12-7(10)6-8(13)11(4-2)9(12)14/h3,6H,1,4-5,10H2,2H3
InChIKey
NGXUUAFYUCOICP-UHFFFAOYSA-N
Canonic Smiles
CCn1c(=O)n(CC=C)c(cc1=O)N
Isomeric Smiles
O=c1n(c(cc(=O)n1CC)N)CC=C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.17734715
LogD (pH = 7.4)
0.17889974
Log P
0.17891957
Molar Refractivity
62.61
Polarizability
19.686361
Polar Surface Area
66.64
Rotatable Bonds
3
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
References
Bioactivity
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