Molecule

ID:115059

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄ClN₃
Molecular Mass
271.74476
Exact Mass
271.08762514
Charge
0
InChI
InChI=1S/C15H14ClN3/c1-9-5-4-6-12(7-9)14-11(3)18-19-13(16)8-10(2)17-15(14)19/h4-8H,1-3H3
InChIKey
MEKMWDDYOMQGNF-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc(c1)c1c(C)nn2c1nc(C)cc2Cl
Isomeric Smiles
n12c(c(c(n1)C)c1cc(ccc1)C)nc(cc2Cl)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.395308
LogD (pH = 7.4)
3.3954136
Log P
3.395415
Molar Refractivity
87.9399
Polarizability
30.54761
Polar Surface Area
30.19
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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