Molecule

ID:42616

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₂O₂
Molecular Mass
202.2093
Exact Mass
202.07422757
Charge
0
InChI
InChI=1S/C11H10N2O2/c1-2-15-11(14)10(8-12)7-9-3-5-13-6-4-9/h3-7H,2H2,1H3/b10-7+
InChIKey
XLQQQEHSYHZOLQ-JXMROGBWSA-N
Canonic Smiles
CCOC(=O)/C(=C/c1ccncc1)/C#N
Isomeric Smiles
C(=C(\C(=O)OCC)/C#N)/c1ccncc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.4127232
LogD (pH = 7.4)
1.4655795
Log P
1.4663078
Molar Refractivity
55.4743
Polarizability
20.92296
Polar Surface Area
62.98
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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