Molecule

ID:111711

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀N₂O₂
Molecular Mass
238.2414
Exact Mass
238.07422757
Charge
0
InChI
InChI=1S/C14H10N2O2/c15-10-6-5-9-11(12(10)16)14(18)8-4-2-1-3-7(8)13(9)17/h1-6H,15-16H2
InChIKey
LRMDXTVKVHKWEK-UHFFFAOYSA-N
Canonic Smiles
O=C1c2ccccc2C(=O)c2c1ccc(c2N)N
Isomeric Smiles
Nc1c(N)c2c(cc1)C(=O)c1ccccc1C2=O
Calculated Properties
JChem
Acid pKa
19.228807
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.9106777
LogD (pH = 7.4)
1.910852
Log P
1.9108542
Molar Refractivity
70.5518
Polarizability
25.582083
Polar Surface Area
86.18
Rotatable Bonds
0
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
References
Bioactivity
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