Molecule

ID:15596

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁ClN₂
Molecular Mass
194.66074
Exact Mass
194.06107604
Charge
0
InChI
InChI=1S/C10H11ClN2/c1-12-6-9-5-7-4-8(11)2-3-10(7)13-9/h2-5,12-13H,6H2,1H3
InChIKey
RKYNDIWOXRAAEJ-UHFFFAOYSA-N
Canonic Smiles
CNCc1cc2c([nH]1)ccc(c2)Cl
Isomeric Smiles
[nH]1c(cc2c1ccc(c2)Cl)CNC
Calculated Properties
JChem
Acid pKa
15.551259
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
-0.98711336
LogD (pH = 7.4)
0.24369468
Log P
2.1544025
Molar Refractivity
55.0748
Polarizability
22.623066
Polar Surface Area
27.82
Rotatable Bonds
2
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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