Molecule

ID:25343

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₅NO₂
Molecular Mass
277.3172
Exact Mass
277.11027873
Charge
0
InChI
InChI=1S/C18H15NO2/c1-11-7-8-16-14(9-11)15(18(20)21)10-17(19-16)13-6-4-3-5-12(13)2/h3-10H,1-2H3,(H,20,21)
InChIKey
SZBKZVCWKRMVSR-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc2c(c1)c(cc(n2)c1ccccc1C)C(=O)O
Isomeric Smiles
c1(nc2c(c(c1)C(=O)O)cc(cc2)C)c1c(C)cccc1
Calculated Properties
JChem
Acid pKa
3.5817692
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.928087
LogD (pH = 7.4)
1.4965351
Log P
4.848402
Molar Refractivity
82.0821
Polarizability
33.848946
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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