Molecule

ID:77527

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₁ClN₂
Molecular Mass
230.69284
Exact Mass
230.06107604
Charge
0
InChI
InChI=1S/C13H11ClN2/c14-12-8-10-6-3-5-9-4-1-2-7-11(9)13(10)16-15-12/h1-2,4,7-8H,3,5-6H2
InChIKey
PJMKITDIWYPIHU-UHFFFAOYSA-N
Canonic Smiles
Clc1nnc2c(c1)CCCc1c2cccc1
Isomeric Smiles
n1nc(cc2c1c1c(cccc1)CCC2)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.6407838
LogD (pH = 7.4)
3.6407864
Log P
3.6407864
Molar Refractivity
67.2759
Polarizability
26.090338
Polar Surface Area
25.78
Rotatable Bonds
0
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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