Molecule

ID:89376

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₂N₂O
Molecular Mass
200.23648
Exact Mass
200.09496301
Charge
0
InChI
InChI=1S/C12H12N2O/c13-9-4-6-11(7-5-9)15-12-3-1-2-10(14)8-12/h1-8H,13-14H2
InChIKey
ZBMISJGHVWNWTE-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)Oc1cccc(c1)N
Isomeric Smiles
O(c1ccc(cc1)N)c1cc(ccc1)N
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.7762796
LogD (pH = 7.4)
1.8151662
Log P
1.8156811
Molar Refractivity
61.6996
Polarizability
22.945698
Polar Surface Area
61.27
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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