Molecule

ID:28896

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂Cl₃NO
Molecular Mass
316.61018
Exact Mass
314.99844705
Charge
0
InChI
InChI=1S/C14H12Cl3NO/c15-10-1-4-12(5-2-10)19-8-7-18-11-3-6-13(16)14(17)9-11/h1-6,9,18H,7-8H2
InChIKey
IJSBLYRUGSUPRL-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)OCCNc1ccc(c(c1)Cl)Cl
Isomeric Smiles
c1(cc(NCCOc2ccc(Cl)cc2)ccc1Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.898224
LogD (pH = 7.4)
4.9021573
Log P
4.9022074
Molar Refractivity
81.2184
Polarizability
31.068005
Polar Surface Area
21.26
Rotatable Bonds
5
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