Molecule

ID:77702

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₀N₂O₂
Molecular Mass
250.2521
Exact Mass
250.07422757
Charge
0
InChI
InChI=1S/C15H10N2O2/c18-10-16-14-5-1-12(2-6-14)9-13-3-7-15(8-4-13)17-11-19/h1-8H,9H2
InChIKey
UPMLOUAZCHDJJD-UHFFFAOYSA-N
Canonic Smiles
O=C=Nc1ccc(cc1)Cc1ccc(cc1)N=C=O
Isomeric Smiles
N(=C=O)c1ccc(cc1)Cc1ccc(cc1)N=C=O
Calculated Properties
JChem
LogD (pH = 7.4)
3.88
LogD (pH = 5.5)
3.88
Log P
3.88
Rotatable Bonds
4
H Donor
0
H Acceptors
4
Lipinski's Rule of Five
true
Acid pKa
-7.78
Polar Surface Area
58.86
Polarizability
25.44
Molar Refractivity
73.94
LOG S
-4.49
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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