Molecule

ID:31016

General Information
Structure
MolImage
Molecular Formula
C₁₁H₇ClN₂O₂
Molecular Mass
234.63848
Exact Mass
234.01960515
Charge
0
InChI
InChI=1S/C11H7ClN2O2/c12-9-3-1-7(2-4-9)10-13-5-8(6-14-10)11(15)16/h1-6H,(H,15,16)
InChIKey
CYZDFCOGTAHKJY-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)c1ncc(cn1)C(=O)O
Isomeric Smiles
c1(ncc(C(=O)O)cn1)c1ccc(cc1)Cl
Calculated Properties
JChem
Acid pKa
3.8356745
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.865491
LogD (pH = 7.4)
-0.7423508
Log P
2.5343533
Molar Refractivity
70.1944
Polarizability
23.040108
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