Molecule

ID:113752

General Information
Structure
Molecular Formula
C₁₅H₁₁NO₂
Molecular Mass
237.25334
Exact Mass
237.0789786
Charge
0
InChI
InChI=1S/C15H11NO2/c17-15(18)14-10-11-6-4-5-9-13(11)16(14)12-7-2-1-3-8-12/h1-10H,(H,17,18)
InChIKey
WMHIWHPGXRRKJM-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cc2c(n1c1ccccc1)cccc2
Isomeric Smiles
c1(n(c2c(c1)cccc2)c1ccccc1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.5548382
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.99434495
LogD (pH = 7.4)
-0.5179034
Log P
2.9365
Molar Refractivity
79.2718
Polarizability
28.193483
Polar Surface Area
42.23
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