Molecule

ID:70039

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₂N₂O
Molecular Mass
200.23648
Exact Mass
200.09496301
Charge
0
InChI
InChI=1S/C12H12N2O/c13-12-8-11(6-7-14-12)15-9-10-4-2-1-3-5-10/h1-8H,9H2,(H2,13,14)
InChIKey
RAFCWIXBEWVPGL-UHFFFAOYSA-N
Canonic Smiles
Nc1nccc(c1)OCc1ccccc1
Isomeric Smiles
c1(cc(ccn1)OCc1ccccc1)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.6267241
LogD (pH = 7.4)
1.3521832
Log P
2.0879068
Molar Refractivity
59.9908
Polarizability
22.680044
Polar Surface Area
48.14
Rotatable Bonds
3
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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