Molecule

ID:69208

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₃Cl₂NO
Molecular Mass
270.15442
Exact Mass
269.0374194
Charge
0
InChI
InChI=1S/C13H12ClNO.ClH/c14-11-3-7-13(8-4-11)16-12-5-1-10(9-15)2-6-12;/h1-8H,9,15H2;1H
InChIKey
BFQVELFTOFIOEB-UHFFFAOYSA-N
Canonic Smiles
NCc1ccc(cc1)Oc1ccc(cc1)Cl.Cl
Isomeric Smiles
C(N)c1ccc(cc1)Oc1ccc(cc1)Cl.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.21755219
LogD (pH = 7.4)
1.1732023
Log P
3.203346
Molar Refractivity
65.577
Polarizability
25.8778
Polar Surface Area
35.25
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