Molecule

ID:101285

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁ClN₂
Molecular Mass
206.67144
Exact Mass
206.06107604
Charge
0
InChI
InChI=1S/C11H11ClN2/c1-14-10(8-12)7-11(13-14)9-5-3-2-4-6-9/h2-7H,8H2,1H3
InChIKey
IWLXERDRDLVWMR-UHFFFAOYSA-N
Canonic Smiles
ClCc1cc(nn1C)c1ccccc1
Isomeric Smiles
n1n(c(cc1c1ccccc1)CCl)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.941331
LogD (pH = 7.4)
2.9414237
Log P
2.9414248
Molar Refractivity
69.47
Polarizability
23.510534
Polar Surface Area
17.82
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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