Molecule

ID:112189

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄ClN₅O
Molecular Mass
279.72546
Exact Mass
279.08868777
Charge
0
InChI
InChI=1S/C12H13N5O.ClH/c13-11(14)17-12(15)16-10-3-1-2-7-4-5-8(18)6-9(7)10;/h1-6,18H,(H6,13,14,15,16,17);1H
InChIKey
SYKXVZPQFBJYLL-UHFFFAOYSA-N
Canonic Smiles
NC(=N)NC(=N)Nc1cccc2c1cc(O)cc2.Cl
Isomeric Smiles
Cl.NC(=N)NC(=N)Nc1c2cc(O)ccc2ccc1
Calculated Properties
JChem
Acid pKa
10.108285
H Acceptors
6
H Donor
6
LogD (pH = 5.5)
-3.0239654
LogD (pH = 7.4)
-1.0653901
Log P
0.9447982
Molar Refractivity
91.3375
Polarizability
26.974543
Polar Surface Area
118.01
Rotatable Bonds
1
Lipinski's Rule of Five
false
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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