Molecule

ID:74739

General Information
Structure
MolImage
Molecular Formula
C₂₂H₁₇ClN₂
Molecular Mass
344.83678
Exact Mass
344.10802623
Charge
0
InChI
InChI=1S/C22H17ClN2/c23-21-24-16-17-25(21)22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-17H
InChIKey
JTMBWVKMAGHXKI-UHFFFAOYSA-N
Canonic Smiles
Clc1nccn1C(c1ccccc1)(c1ccccc1)c1ccccc1
Isomeric Smiles
n1(c(ncc1)Cl)C(c1ccccc1)(c1ccccc1)c1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
6.133671
LogD (pH = 7.4)
6.1492186
Log P
6.149421
Molar Refractivity
103.9856
Polarizability
39.65916
Polar Surface Area
17.82
Rotatable Bonds
4
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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