Molecule

ID:57015

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₅NO₂
Molecular Mass
277.3172
Exact Mass
277.11027873
Charge
0
InChI
InChI=1S/C18H15NO2/c1-11-8-9-14-15(18(20)21)10-16(19-17(14)12(11)2)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,20,21)
InChIKey
BYFVBXGVWUGZNT-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cc(nc2c1ccc(c2C)C)c1ccccc1
Isomeric Smiles
c1c(c(c2c(c1)c(cc(n2)c1ccccc1)C(=O)O)C)C
Calculated Properties
JChem
Acid pKa
3.6024914
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.933531
LogD (pH = 7.4)
1.4985007
Log P
4.715473
Molar Refractivity
82.0821
Polarizability
33.848907
Polar Surface Area
50.19
Rotatable Bonds
2
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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