Molecule

ID:73474

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₅Cl₂N₃
Molecular Mass
308.2057
Exact Mass
307.06430286
Charge
0
InChI
InChI=1S/C15H14ClN3.ClH/c16-11-3-4-14-13(8-11)12(5-6-17)15(19-14)10-2-1-7-18-9-10;/h1-4,7-9,19H,5-6,17H2;1H
InChIKey
FWOLBQAWTDXCBO-UHFFFAOYSA-N
Canonic Smiles
NCCc1c([nH]c2c1cc(Cl)cc2)c1cccnc1.Cl
Isomeric Smiles
[nH]1c(c(c2cc(ccc12)Cl)CCN)c1cnccc1.Cl
Calculated Properties
JChem
Acid pKa
15.464166
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-0.602853
LogD (pH = 7.4)
0.22657512
Log P
2.4400363
Molar Refractivity
78.0345
Polarizability
32.648632
Polar Surface Area
54.7
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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