Molecule

ID:113435

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₂O₂
Molecular Mass
190.1986
Exact Mass
190.07422757
Charge
0
InChI
InChI=1S/C10H10N2O2/c1-7(13)12-6-10(14)11-8-4-2-3-5-9(8)12/h2-5H,6H2,1H3,(H,11,14)
InChIKey
ZCJDYYGRHCAYGS-UHFFFAOYSA-N
Canonic Smiles
O=C1Nc2ccccc2N(C1)C(=O)C
Isomeric Smiles
N1(c2c(NC(=O)C1)cccc2)C(=O)C
Calculated Properties
JChem
Acid pKa
12.324297
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.01406158
LogD (pH = 7.4)
0.01405673
Log P
0.014061642
Molar Refractivity
52.3408
Polarizability
19.375792
Polar Surface Area
49.41
Rotatable Bonds
0
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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