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1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-5-phenyltriazole-4-carboxamide

Formula:C25H18N8O3Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-5-phenyltriazole-4-carboxamide is not a drug-like molecule.
MolName1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-5-phenyltriazole-4-carboxamide
MolecularFormulaC25H18N8O3Cl2
SmilesNc1nonc1-n1nnc(C(N/N=C\c2cccc(OCc(ccc(Cl)c3)c3Cl)c2)=O)c1-c1ccccc1
InChIInChI=1S/C25H18Cl2N8O3/c26-18-10-9-17(20(27)12-18)14-37-19-8-4-5-15(11-19)13-29-31-25(36)21-22(16-6-2-1-3-7-16)35(34-30-21)24-23(28)32-38-33-24/h1-13H,14H2,(H2,28,32)(H,31,36)
InChIKOAICQARRQBYKSN-UHFFFAOYSA-N
TotalMolweight549.377
Molweight549.377
MonoisotopicMass548.087891
CLogP6.0057
CLogS-6.019
H Acceptors11
H Donors2
TotalSurfaceArea403.32
Relative PSA0.31275
PolarSurfaceArea146.34
Druglikeness1.7579
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.52632
Fragments1
Non HAtoms38
NonCHAtoms13
Electronegative Atoms13
Rotatable Bond8
Rings Closures5
Small Rings5
Aromatic Rings5
Aromatic Atoms28
Sp3Atoms2
Symmetricatoms2
Aromatic Nitrogens5
StereoCon

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