Molecule

ID:53440

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉ClN₂
Molecular Mass
192.64486
Exact Mass
192.04542598
Charge
0
InChI
InChI=1S/C10H9ClN2/c1-2-7-10(11)13-9-6-4-3-5-8(9)12-7/h3-6H,2H2,1H3
InChIKey
MTHNWHRBVIADBZ-UHFFFAOYSA-N
Canonic Smiles
CCc1nc2ccccc2nc1Cl
Isomeric Smiles
n1c(c(nc2c1cccc2)CC)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.9551816
LogD (pH = 7.4)
2.955206
Log P
2.9552062
Molar Refractivity
52.5349
Polarizability
21.605701
Polar Surface Area
25.78
Rotatable Bonds
1
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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