Molecule

ID:64599

General Information
Structure
MolImage
Molecular Formula
C₉H₁₃N₃O₂
Molecular Mass
195.21842
Exact Mass
195.10077667
Charge
0
InChI
InChI=1S/C9H13N3O2/c1-2-14-9(13)7-6-12-4-3-10-5-8(12)11-7/h6,10H,2-5H2,1H3
InChIKey
YTYJZXFCWYHVPG-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cn2c(n1)CNCC2
Isomeric Smiles
c1(nc2n(c1)CCNC2)C(=O)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.2659475
LogD (pH = 7.4)
-0.0202246
Log P
0.08457744
Molar Refractivity
50.9174
Polarizability
19.691925
Polar Surface Area
56.15
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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