Molecule

ID:89279

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₀Cl₂O
Molecular Mass
277.1453
Exact Mass
276.0108703
Charge
0
InChI
InChI=1S/C15H10Cl2O/c16-13-8-5-12(6-9-13)15(18)10-7-11-3-1-2-4-14(11)17/h1-10H
InChIKey
ALLWUEVPWWNNGO-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)C(=O)/C=C/c1ccccc1Cl
Isomeric Smiles
Clc1c(cccc1)/C=C/C(=O)c1ccc(cc1)Cl
Calculated Properties
JChem
Acid pKa
16.311422
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.098415
LogD (pH = 7.4)
5.098415
Log P
5.098415
Molar Refractivity
76.4866
Polarizability
29.061255
Polar Surface Area
17.07
Rotatable Bonds
3
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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