Molecule

ID:75072

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₇ClN₄O
Molecular Mass
292.76398
Exact Mass
292.10908886
Charge
0
InChI
InChI=1S/C14H16N4O.ClH/c1-2-19-12-6-4-11(5-7-12)17-18-14-8-3-10(15)9-13(14)16;/h3-9H,2,15-16H2,1H3;1H
InChIKey
IWHXNINOLLNFGP-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccc(cc1)/N=N/c1ccc(cc1N)N.Cl
Isomeric Smiles
N(=N\c1ccc(cc1N)N)/c1ccc(cc1)OCC.Cl
Calculated Properties
JChem
Acid pKa
18.060114
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
2.9160297
LogD (pH = 7.4)
2.9203687
Log P
2.9204242
Molar Refractivity
80.9896
Polarizability
28.200262
Polar Surface Area
85.99
Rotatable Bonds
4
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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