Molecule

ID:60076

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀N₂O
Molecular Mass
222.242
Exact Mass
222.07931295
Charge
0
InChI
InChI=1S/C14H10N2O/c17-14-8-7-13(15-16-14)12-6-5-10-3-1-2-4-11(10)9-12/h1-9H,(H,16,17)
InChIKey
WGLIXRXOERJHDG-UHFFFAOYSA-N
Canonic Smiles
O=c1ccc(n[nH]1)c1ccc2c(c1)cccc2
Isomeric Smiles
n1[nH]c(=O)ccc1c1cc2c(cc1)cccc2
Calculated Properties
JChem
Acid pKa
10.345232
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.3493533
LogD (pH = 7.4)
2.3489232
Log P
2.3493593
Molar Refractivity
67.1536
Polarizability
26.193665
Polar Surface Area
41.46
Rotatable Bonds
1
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