Molecule

ID:120647

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₆N₂O
Molecular Mass
252.31104
Exact Mass
252.12626314
Charge
0
InChI
InChI=1S/C16H16N2O/c1-10(2)12-5-8-15-14(9-12)18-16(19-15)11-3-6-13(17)7-4-11/h3-10H,17H2,1-2H3
InChIKey
FBVSYPIUCWRDNG-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)c1nc2c(o1)ccc(c2)C(C)C
Isomeric Smiles
n1c(oc2c1cc(cc2)C(C)C)c1ccc(N)cc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.7598436
LogD (pH = 7.4)
3.7607079
Log P
3.7607188
Molar Refractivity
86.7159
Polarizability
30.758299
Polar Surface Area
52.05
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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