Molecule

ID:57012

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₆N₂O₂
Molecular Mass
292.33184
Exact Mass
292.12117776
Charge
0
InChI
InChI=1S/C18H16N2O2/c1-2-11-3-8-16-14(9-11)15(18(21)22)10-17(20-16)12-4-6-13(19)7-5-12/h3-10H,2,19H2,1H3,(H,21,22)
InChIKey
NGGUHLACAQIMPO-UHFFFAOYSA-N
Canonic Smiles
CCc1ccc2c(c1)c(cc(n2)c1ccc(cc1)N)C(=O)O
Isomeric Smiles
c1(ccc2c(c1)c(cc(n2)c1ccc(cc1)N)C(=O)O)CC
Calculated Properties
JChem
Acid pKa
3.8751054
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
2.0378377
LogD (pH = 7.4)
0.6030453
Log P
3.2633507
Molar Refractivity
86.3423
Polarizability
35.03306
Polar Surface Area
76.21
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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