Molecule

ID:13854

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₂O₂
Molecular Mass
202.2093
Exact Mass
202.07422757
Charge
0
InChI
InChI=1S/C11H10N2O2/c12-8-3-1-4-9(7-8)13-11(14)10-5-2-6-15-10/h1-7H,12H2,(H,13,14)
InChIKey
DNCIKRMVVUFNGX-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1)NC(=O)c1ccco1
Isomeric Smiles
c1(C(=O)Nc2cc(ccc2)N)ccco1
Calculated Properties
JChem
Acid pKa
11.414209
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.2902519
LogD (pH = 7.4)
1.2963321
Log P
1.2964513
Molar Refractivity
58.6828
Polarizability
20.956923
Polar Surface Area
68.26
Rotatable Bonds
2
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
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Molecule Details
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References
Bioactivity
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