Molecule

ID:25507

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₅NO₂
Molecular Mass
277.3172
Exact Mass
277.11027873
Charge
0
InChI
InChI=1S/C18H15NO2/c1-11-7-6-10-14-15(18(20)21)12(2)17(19-16(11)14)13-8-4-3-5-9-13/h3-10H,1-2H3,(H,20,21)
InChIKey
LAGXAKIJSYQAOP-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1c(C)c(nc2c1cccc2C)c1ccccc1
Isomeric Smiles
n1c(c(c(c2c1c(ccc2)C)C(=O)O)C)c1ccccc1
Calculated Properties
JChem
Acid pKa
3.4286704
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.753148
LogD (pH = 7.4)
1.4435425
Log P
4.66146
Molar Refractivity
82.0821
Polarizability
33.849255
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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