Molecule

ID:25387

General Information
Structure
MolImage
Molecular Formula
C₂₀H₁₉NO₂
Molecular Mass
305.37036
Exact Mass
305.14157885
Charge
0
InChI
InChI=1S/C20H19NO2/c1-3-5-14-8-10-15(11-9-14)18-12-17(20(22)23)16-7-4-6-13(2)19(16)21-18/h4,6-12H,3,5H2,1-2H3,(H,22,23)
InChIKey
DSSSLXJJOHREEQ-UHFFFAOYSA-N
Canonic Smiles
CCCc1ccc(cc1)c1cc(C(=O)O)c2c(n1)c(C)ccc2
Isomeric Smiles
n1c2c(c(cc1c1ccc(cc1)CCC)C(=O)O)cccc2C
Calculated Properties
JChem
Acid pKa
3.5888405
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.8208551
LogD (pH = 7.4)
2.3869536
Log P
5.7375393
Molar Refractivity
91.2841
Polarizability
37.542473
Polar Surface Area
50.19
Rotatable Bonds
4
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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