Molecule

ID:78436

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈N₂O₂
Molecular Mass
200.19342
Exact Mass
200.05857751
Charge
0
InChI
InChI=1S/C11H8N2O2/c14-11(15)8-4-5-10(13-7-8)9-3-1-2-6-12-9/h1-7H,(H,14,15)
InChIKey
LWMHPOLRJIRLPN-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc(nc1)c1ccccn1
Isomeric Smiles
n1c(cccc1)c1ncc(cc1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.7824128
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.16471055
LogD (pH = 7.4)
-1.6823012
Log P
1.3142035
Molar Refractivity
53.3926
Polarizability
21.812925
Polar Surface Area
63.08
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