Molecule
ID:74567
General Information
Molecular Formula
C₁₉H₁₇NO₃
Molecular Mass
307.34318
Exact Mass
307.12084341
Charge
0
InChI
InChI=1S/C19H17NO3/c1-20-12-16(14-9-5-6-10-17(14)20)15(19(22)23)11-18(21)13-7-3-2-4-8-13/h2-10,12,15H,11H2,1H3,(H,22,23)
InChIKey
CFCVZKGESVQTIL-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccccc1)CC(c1cn(c2c1cccc2)C)C(=O)O
Isomeric Smiles
n1(cc(c2c1cccc2)C(CC(=O)c1ccccc1)C(=O)O)C
Calculated Properties
JChem
Acid pKa
4.3242826
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.153134
LogD (pH = 7.4)
0.40980288
Log P
3.3549843
Molar Refractivity
88.0068
Polarizability
34.820427
Polar Surface Area
59.3
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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