Molecule

ID:59792

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₆N₂O₂
Molecular Mass
292.33184
Exact Mass
292.12117776
Charge
0
InChI
InChI=1S/C18H16N2O2/c1-11(2)12-6-7-15-13(9-12)14(18(21)22)10-17(20-15)16-5-3-4-8-19-16/h3-11H,1-2H3,(H,21,22)
InChIKey
PRUCDCVAOWLHDX-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cc(nc2c1cc(cc2)C(C)C)c1ccccn1
Isomeric Smiles
c1(c2c(nc(c1)c1ncccc1)ccc(c2)C(C)C)C(=O)O
Calculated Properties
JChem
Acid pKa
3.668411
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.3082187
LogD (pH = 7.4)
0.88111657
Log P
3.8549068
Molar Refractivity
83.6616
Polarizability
34.841064
Polar Surface Area
63.08
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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