Molecule

ID:107075

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₆ClN₃
Molecular Mass
261.74994
Exact Mass
261.10327521
Charge
0
InChI
InChI=1S/C14H15N3.ClH/c1-10-5-3-4-6-14(10)17-16-12-7-8-13(15)11(2)9-12;/h3-9H,15H2,1-2H3;1H
InChIKey
PUDCZUQFOPHIGU-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(ccc1N)/N=N/c1ccccc1C.Cl
Isomeric Smiles
Cl.Cc1ccccc1/N=N/c1ccc(N)c(C)c1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
4.5757084
LogD (pH = 7.4)
4.5770392
Log P
4.5770564
Molar Refractivity
75.1598
Polarizability
26.250471
Polar Surface Area
50.74
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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