Molecule

ID:57067

General Information
Structure
MolImage
Molecular Formula
C₂₀H₁₉NO₂
Molecular Mass
305.37036
Exact Mass
305.14157885
Charge
0
InChI
InChI=1S/C20H19NO2/c1-11-5-6-13(3)16(9-11)18-10-17(20(22)23)15-8-7-12(2)14(4)19(15)21-18/h5-10H,1-4H3,(H,22,23)
InChIKey
UXWIYQUHPIHSSV-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(c1)c1cc(C(=O)O)c2c(n1)c(C)c(cc2)C)C
Isomeric Smiles
c1c(c(c2c(c1)c(cc(n2)c1c(ccc(c1)C)C)C(=O)O)C)C
Calculated Properties
JChem
Acid pKa
3.5931838
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.9603038
LogD (pH = 7.4)
2.5252807
Log P
5.8752446
Molar Refractivity
92.1645
Polarizability
37.37842
Polar Surface Area
50.19
Rotatable Bonds
2
Lipinski's Rule of Five
false
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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