4-amino-N-[(Z)-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-1,2,5-oxadiazole-3-carboxamide

Formula:C17H12N5O3BrCl2 Mutagenic:high Tumorigenic:none Reproductive Effective:none 4-amino-N-[(Z)-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-1,2,5-oxadiazole-3-carboxamide is a drug-like molecule.

MolName	4-amino-N-[(Z)-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-1,2,5-oxadiazole-3-carboxamide
MolecularFormula	C17H12N5O3BrCl2
Smiles	Nc1nonc1C(N/N=C\c(cc(cc1)Br)c1OCc(ccc(Cl)c1)c1Cl)=O
InChI	InChI=1S/C17H12BrCl2N5O3/c18-11-2-4-14(27-8-9-1-3-12(19)6-13(9)20)10(5-11)7-22-23-17(26)15-16(21)25-28-24-15/h1-7H,8H2,(H2,21,25)(H,23,26)
InChIK	GBPWXYYHPNQYFV-UHFFFAOYSA-N
TotalMolweight	485.124
Molweight	485.124
MonoisotopicMass	482.950055
CLogP	4.7263
CLogS	-6.236
H Acceptors	8
H Donors	2
TotalSurfaceArea	315.71
Relative PSA	0.30829
PolarSurfaceArea	115.63
Druglikeness	4.2105
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.57143
Fragments	1
Non HAtoms	28
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Aromatic Nitrogens	2
StereoCon

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