Molecule

ID:86030

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₅ClN₄O₂
Molecular Mass
354.7903
Exact Mass
354.08835342
Charge
0
InChI
InChI=1S/C18H15ClN4O2/c1-12-8-10-13(11-9-12)20-21-15-16(18(24)25-2)22-23(17(15)19)14-6-4-3-5-7-14/h3-11H,1-2H3
InChIKey
YAIBQDWUBJJPCV-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1nn(c(c1/N=N/c1ccc(cc1)C)Cl)c1ccccc1
Isomeric Smiles
n1(c2ccccc2)c(c(c(n1)C(=O)OC)/N=N/c1ccc(cc1)C)Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
5.486761
LogD (pH = 7.4)
5.486762
Log P
5.486762
Molar Refractivity
100.2391
Polarizability
36.78375
Polar Surface Area
68.84
Rotatable Bonds
5
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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