Molecule

ID:25299

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₇NO₃
Molecular Mass
307.34318
Exact Mass
307.12084341
Charge
0
InChI
InChI=1S/C19H17NO3/c1-2-10-23-14-7-5-6-13(11-14)18-12-16(19(21)22)15-8-3-4-9-17(15)20-18/h3-9,11-12H,2,10H2,1H3,(H,21,22)
InChIKey
KSVAZDTWDMLZSM-UHFFFAOYSA-N
Canonic Smiles
CCCOc1cccc(c1)c1nc2ccccc2c(c1)C(=O)O
Isomeric Smiles
c1(cc(nc2c1cccc2)c1cc(OCCC)ccc1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.5696824
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.6104345
LogD (pH = 7.4)
1.1870548
Log P
4.543218
Molar Refractivity
87.7355
Polarizability
36.483208
Polar Surface Area
59.42
Rotatable Bonds
5
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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