Molecule

ID:121426

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀ClNO
Molecular Mass
207.6562
Exact Mass
207.04509163
Charge
0
InChI
InChI=1S/C11H10ClNO/c12-9-3-5-10(6-4-9)13-8-11-2-1-7-14-11/h1-7,13H,8H2
InChIKey
SORYCONFCUFJND-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)NCc1ccco1
Isomeric Smiles
c1(occc1)CNc1ccc(Cl)cc1
Calculated Properties
JChem
Acid pKa
18.96747
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.8339248
LogD (pH = 7.4)
2.8347776
Log P
2.8347883
Molar Refractivity
58.0601
Polarizability
21.618391
Polar Surface Area
25.17
Rotatable Bonds
3
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