Molecule

ID:64718

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅Cl₂N₃
Molecular Mass
296.195
Exact Mass
295.06430286
Charge
0
InChI
InChI=1S/C14H14ClN3.ClH/c15-14-12-6-7-18(9-13(12)16-10-17-14)8-11-4-2-1-3-5-11;/h1-5,10H,6-9H2;1H
InChIKey
PDGHKVHYRGPTKR-UHFFFAOYSA-N
Canonic Smiles
Clc1ncnc2c1CCN(C2)Cc1ccccc1.Cl
Isomeric Smiles
n1cnc2c(c1Cl)CCN(C2)Cc1ccccc1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.8530261
LogD (pH = 7.4)
2.4028318
Log P
2.6611876
Molar Refractivity
74.5311
Polarizability
28.145376
Polar Surface Area
29.02
Rotatable Bonds
2
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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