Molecule

ID:42484

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂ClN₃
Molecular Mass
209.67538
Exact Mass
209.07197508
Charge
0
InChI
InChI=1S/C10H12ClN3/c1-13(2)7-9-5-12-10-4-3-8(11)6-14(9)10/h3-6H,7H2,1-2H3
InChIKey
ZIRURUMISQLJOU-UHFFFAOYSA-N
Canonic Smiles
CN(Cc1cnc2n1cc(Cl)cc2)C
Isomeric Smiles
n12c(cnc1ccc(c2)Cl)CN(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-1.3380764
LogD (pH = 7.4)
0.48285237
Log P
1.224992
Molar Refractivity
59.1614
Polarizability
22.205896
Polar Surface Area
20.54
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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