Molecule

ID:14121

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₅NO₂
Molecular Mass
277.3172
Exact Mass
277.11027873
Charge
0
InChI
InChI=1S/C18H15NO2/c1-11-7-8-13(12(2)9-11)17-10-15(18(20)21)14-5-3-4-6-16(14)19-17/h3-10H,1-2H3,(H,20,21)
InChIKey
LQOCMAVPLYTGBG-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(c1)C)c1nc2ccccc2c(c1)C(=O)O
Isomeric Smiles
c1(nc2c(c(c1)C(=O)O)cccc2)c1c(cc(cc1)C)C
Calculated Properties
JChem
Acid pKa
3.5684192
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.9157045
LogD (pH = 7.4)
1.4922628
Log P
4.848402
Molar Refractivity
82.0821
Polarizability
33.849556
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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