Molecule

ID:57033

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₁NO₃
Molecular Mass
253.25274
Exact Mass
253.07389322
Charge
0
InChI
InChI=1S/C15H11NO3/c1-9-4-5-12-10(7-9)11(15(17)18)8-13(16-12)14-3-2-6-19-14/h2-8H,1H3,(H,17,18)
InChIKey
VYBHSLZEZGOOAC-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc2c(c1)c(cc(n2)c1ccco1)C(=O)O
Isomeric Smiles
c1(ccc2c(c1)c(cc(n2)c1ccco1)C(=O)O)C
Calculated Properties
JChem
Acid pKa
3.567728
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.4685688
LogD (pH = 7.4)
0.04113382
Log P
3.3952272
Molar Refractivity
69.4318
Polarizability
28.880852
Polar Surface Area
63.33
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation