Molecule
ID:92361
General Information
Molecular Formula
C₁₉H₁₅NO₂
Molecular Mass
289.3279
Exact Mass
289.11027873
Charge
0
InChI
InChI=1S/C19H15NO2/c20-18-12-16(14-9-5-2-6-10-14)15(11-17(18)19(21)22)13-7-3-1-4-8-13/h1-12H,20H2,(H,21,22)
InChIKey
DOXAMEQCBGYCHF-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cc(c2ccccc2)c(cc1N)c1ccccc1
Isomeric Smiles
O=C(c1c(cc(c(c1)c1ccccc1)c1ccccc1)N)O
Calculated Properties
JChem
Acid pKa
4.7864404
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.8379772
LogD (pH = 7.4)
2.0771484
Log P
4.7463536
Molar Refractivity
88.287
Polarizability
35.81931
Polar Surface Area
63.32
Rotatable Bonds
3
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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