Molecule

ID:64694

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃N₃O
Molecular Mass
203.24042
Exact Mass
203.10586205
Charge
0
InChI
InChI=1S/C11H13N3O/c1-3-11(15-4-2)14-10-8-6-5-7-9(10)12-13-14/h3,5-8,11H,1,4H2,2H3
InChIKey
TYCUMVDXXCVZCS-UHFFFAOYSA-N
Canonic Smiles
CCOC(n1nnc2c1cccc2)C=C
Isomeric Smiles
C=CC(OCC)n1nnc2c1cccc2
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.7919157
LogD (pH = 7.4)
2.7919185
Log P
2.7919185
Molar Refractivity
68.9665
Polarizability
23.437414
Polar Surface Area
39.94
Rotatable Bonds
4
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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