Molecule

ID:25503

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₇NO₃
Molecular Mass
307.34318
Exact Mass
307.12084341
Charge
0
InChI
InChI=1S/C19H17NO3/c1-11-4-9-16-15(10-11)17(19(21)22)12(2)18(20-16)13-5-7-14(23-3)8-6-13/h4-10H,1-3H3,(H,21,22)
InChIKey
HNSYDHWFVDPVIJ-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)c1nc2ccc(cc2c(c1C)C(=O)O)C
Isomeric Smiles
n1c(c(c(c2c1ccc(c2)C)C(=O)O)C)c1ccc(cc1)OC
Calculated Properties
JChem
Acid pKa
3.4489021
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.5921063
LogD (pH = 7.4)
1.2850435
Log P
4.478025
Molar Refractivity
88.5453
Polarizability
36.31541
Polar Surface Area
59.42
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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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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