Molecule

ID:77877

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₂O₂
Molecular Mass
190.1986
Exact Mass
190.07422757
Charge
0
InChI
InChI=1S/C10H10N2O2/c1-12(2)7-8(6-11)10(13)9-4-3-5-14-9/h3-5,7H,1-2H3
InChIKey
NHZCYLWZVUYWIM-UHFFFAOYSA-N
Canonic Smiles
N#C/C(=C\N(C)C)/C(=O)c1ccco1
Isomeric Smiles
o1c(ccc1)C(=O)/C(=C/N(C)C)/C#N
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.74724925
LogD (pH = 7.4)
0.7473256
Log P
0.74732655
Molar Refractivity
52.2575
Polarizability
19.065956
Polar Surface Area
57.24
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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