Molecule

ID:29181

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₂ClN
Molecular Mass
217.69408
Exact Mass
217.06582707
Charge
0
InChI
InChI=1S/C13H12ClN/c14-13-9-5-4-6-11(13)10-15-12-7-2-1-3-8-12/h1-9,15H,10H2
InChIKey
SWKUGGDNDCPQIF-UHFFFAOYSA-N
Canonic Smiles
Clc1ccccc1CNc1ccccc1
Isomeric Smiles
c1(CNc2ccccc2)c(Cl)cccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.7645998
LogD (pH = 7.4)
3.7744153
Log P
3.7745419
Molar Refractivity
65.6692
Polarizability
24.780338
Polar Surface Area
12.03
Rotatable Bonds
3
Lipinski's Rule of Five
true
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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