Molecule

ID:25618

General Information
Structure
MolImage
Molecular Formula
C₁₅H₉ClN₂O₂
Molecular Mass
284.69716
Exact Mass
284.03525522
Charge
0
InChI
InChI=1S/C15H9ClN2O2/c16-10-1-2-13-11(7-10)12(15(19)20)8-14(18-13)9-3-5-17-6-4-9/h1-8H,(H,19,20)
InChIKey
FUVYVTRILLYVLA-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc2c(c1)c(cc(n2)c1ccncc1)C(=O)O
Isomeric Smiles
c1(c2c(nc(c1)c1ccncc1)ccc(c2)Cl)C(=O)O
Calculated Properties
JChem
Acid pKa
3.4048033
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.3565823
LogD (pH = 7.4)
-0.11115078
Log P
2.3672385
Molar Refractivity
74.6476
Polarizability
31.192358
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