Molecule

ID:16661

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₃ClN₂
Molecular Mass
256.73012
Exact Mass
256.07672611
Charge
0
InChI
InChI=1S/C15H13ClN2/c16-10-15-17-13-8-4-5-9-14(13)18(15)11-12-6-2-1-3-7-12/h1-9H,10-11H2
InChIKey
AIEZSIAPQGBFRC-UHFFFAOYSA-N
Canonic Smiles
ClCc1nc2c(n1Cc1ccccc1)cccc2
Isomeric Smiles
c12n(c(nc1cccc2)CCl)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.7866955
LogD (pH = 7.4)
3.8669276
Log P
3.8680618
Molar Refractivity
73.6717
Polarizability
29.686731
Polar Surface Area
17.82
Rotatable Bonds
3
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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