Molecule

ID:75373

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₂N₂O
Molecular Mass
212.24718
Exact Mass
212.09496301
Charge
0
InChI
InChI=1S/C13H12N2O/c14-11-7-6-10(8-12(11)15)13(16)9-4-2-1-3-5-9/h1-8H,14-15H2
InChIKey
RXCOGDYOZQGGMK-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccc(c(c1)N)N)c1ccccc1
Isomeric Smiles
O=C(c1ccccc1)c1ccc(c(c1)N)N
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.7720731
LogD (pH = 7.4)
1.7747132
Log P
1.7747469
Molar Refractivity
66.0343
Polarizability
24.267847
Polar Surface Area
69.11
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
No Data Available
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Molecule Details
References
Bioactivity
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