Molecule

ID:76216

General Information
Structure
Molecular Formula
C₁₄H₁₄Cl₃N
Molecular Mass
302.62666
Exact Mass
301.01918249
Charge
0
InChI
InChI=1S/C14H13Cl2N.ClH/c15-13-7-6-11(8-14(13)16)12(9-17)10-4-2-1-3-5-10;/h1-8,12H,9,17H2;1H
InChIKey
IMAPXTGANILONV-UHFFFAOYSA-N
Canonic Smiles
NCC(c1ccc(c(c1)Cl)Cl)c1ccccc1.Cl
Isomeric Smiles
Clc1cc(ccc1Cl)C(c1ccccc1)CN.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.0912304
LogD (pH = 7.4)
1.8818847
Log P
4.0945415
Molar Refractivity
73.4626
Polarizability
28.8049
Polar Surface Area
26.02
Rotatable Bonds
3
Lipinski's Rule of Five
true
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