Molecule

ID:76011

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁ClN₂
Molecular Mass
206.67144
Exact Mass
206.06107604
Charge
0
InChI
InChI=1S/C11H11ClN2/c1-14-7-6-11(13-14)10-4-2-9(8-12)3-5-10/h2-7H,8H2,1H3
InChIKey
YLJMPTWMRVXTQQ-UHFFFAOYSA-N
Canonic Smiles
ClCc1ccc(cc1)c1ccn(n1)C
Isomeric Smiles
n1(ccc(n1)c1ccc(cc1)CCl)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.021296
LogD (pH = 7.4)
3.0214221
Log P
3.0214236
Molar Refractivity
69.5925
Polarizability
23.508394
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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