Molecule

ID:57065

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₇NO₃
Molecular Mass
307.34318
Exact Mass
307.12084341
Charge
0
InChI
InChI=1S/C19H17NO3/c1-3-12-6-5-9-15-16(19(21)22)11-17(20-18(12)15)13-7-4-8-14(10-13)23-2/h4-11H,3H2,1-2H3,(H,21,22)
InChIKey
YBNFZHSPUJMXNC-UHFFFAOYSA-N
Canonic Smiles
CCc1cccc2c1nc(cc2C(=O)O)c1cccc(c1)OC
Isomeric Smiles
c1cc(c2c(c1)c(cc(n2)c1cccc(c1)OC)C(=O)O)CC
Calculated Properties
JChem
Acid pKa
3.5837152
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.703899
LogD (pH = 7.4)
1.270824
Log P
4.6218777
Molar Refractivity
88.1051
Polarizability
36.40149
Polar Surface Area
59.42
Rotatable Bonds
4
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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