Molecule

ID:16943

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₁ClN₂
Molecular Mass
218.68214
Exact Mass
218.06107604
Charge
0
InChI
InChI=1S/C12H11ClN2/c13-11-3-1-9(2-4-11)12(14)10-5-7-15-8-6-10/h1-8,12H,14H2
InChIKey
YCSMATSKHPALAR-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)C(c1ccncc1)N
Isomeric Smiles
c1(C(c2ccncc2)N)ccc(cc1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.5702518
LogD (pH = 7.4)
0.88207763
Log P
2.2696266
Molar Refractivity
61.4621
Polarizability
24.246117
Polar Surface Area
38.91
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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