Molecule

ID:87634

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀N₂O
Molecular Mass
198.2206
Exact Mass
198.07931295
Charge
0
InChI
InChI=1S/C12H10N2O/c15-12(10-4-2-1-3-5-10)14-11-6-8-13-9-7-11/h1-9H,(H,13,14,15)
InChIKey
PNWVOLKZHJEWQU-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccccc1)Nc1ccncc1
Isomeric Smiles
n1ccc(cc1)NC(=O)c1ccccc1
Calculated Properties
JChem
Acid pKa
10.7249775
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.538404
LogD (pH = 7.4)
1.8405017
Log P
1.8474582
Molar Refractivity
59.4346
Polarizability
22.03734
Polar Surface Area
41.99
Rotatable Bonds
2
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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