Molecule

ID:124555

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆ClN₃
Molecular Mass
237.72854
Exact Mass
237.10327521
Charge
0
InChI
InChI=1S/C12H15N3.ClH/c1-9-12(13)10(2)15(14-9)8-11-6-4-3-5-7-11;/h3-7H,8,13H2,1-2H3;1H
InChIKey
XRFWOWWNONAYDQ-UHFFFAOYSA-N
Canonic Smiles
Cc1nn(c(c1N)C)Cc1ccccc1.Cl
Isomeric Smiles
n1(nc(c(c1C)N)C)Cc1ccccc1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.6266679
LogD (pH = 7.4)
1.627573
Log P
1.6275846
Molar Refractivity
74.0156
Polarizability
23.156202
Polar Surface Area
43.84
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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