Molecule

ID:124509

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₆N₂O₂
Molecular Mass
292.33184
Exact Mass
292.12117776
Charge
0
InChI
InChI=1S/C18H16N2O2/c21-16(22)11-12-20-13-19-17(14-7-3-1-4-8-14)18(20)15-9-5-2-6-10-15/h1-10,13H,11-12H2,(H,21,22)
InChIKey
RRAYJFUWEFDOPH-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCn1cnc(c1c1ccccc1)c1ccccc1
Isomeric Smiles
n1c(c(n(c1)CCC(=O)O)c1ccccc1)c1ccccc1
Calculated Properties
JChem
Acid pKa
4.619188
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.3833199
LogD (pH = 7.4)
0.8445351
Log P
2.514966
Molar Refractivity
84.4714
Polarizability
35.143467
Polar Surface Area
55.12
Rotatable Bonds
5
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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