Molecule

ID:16784

General Information
Structure
Molecular Formula
C₁₁H₉ClN₂
Molecular Mass
204.65556
Exact Mass
204.04542598
Charge
0
InChI
InChI=1S/C11H9ClN2/c1-8-7-10(12)14-11(13-8)9-5-3-2-4-6-9/h2-7H,1H3
InChIKey
MOLLLUIWZOISLC-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(Cl)nc(n1)c1ccccc1
Isomeric Smiles
c1(c2ccccc2)nc(cc(n1)Cl)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.4560626
LogD (pH = 7.4)
3.4563742
Log P
3.456378
Molar Refractivity
68.591
Polarizability
22.5115
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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