Molecule

ID:82850

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉ClN₂
Molecular Mass
192.64486
Exact Mass
192.04542598
Charge
0
InChI
InChI=1S/C10H9ClN2/c11-10-3-1-9(2-4-10)7-13-6-5-12-8-13/h1-6,8H,7H2
InChIKey
RPLWYOLCHGTNSX-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)Cn1cncc1
Isomeric Smiles
n1cn(Cc2ccc(cc2)Cl)cc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.8788062
LogD (pH = 7.4)
2.3434052
Log P
2.4069695
Molar Refractivity
53.3269
Polarizability
20.354671
Polar Surface Area
17.82
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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