Molecule

ID:16937

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁ClN₂
Molecular Mass
206.67144
Exact Mass
206.06107604
Charge
0
InChI
InChI=1S/C11H11ClN2/c12-7-1-2-10-8(5-7)9-6-13-4-3-11(9)14-10/h1-2,5,13-14H,3-4,6H2
InChIKey
LCKUBQBEDRQTRC-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc2c(c1)c1CNCCc1[nH]2
Isomeric Smiles
c12c3c([nH]c1CCNC2)ccc(c3)Cl
Calculated Properties
JChem
Acid pKa
15.805837
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
-1.1902348
LogD (pH = 7.4)
-0.014728384
Log P
1.9655895
Molar Refractivity
58.4948
Polarizability
23.647614
Polar Surface Area
27.82
Rotatable Bonds
0
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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