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C14H10N5O3Br | Cheminformatics
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4-amino-N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-1,2,5-oxadiazole-3-carboxamide

Molecular Formula : C14H10N5O3Br | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |
4-amino-N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-1,2,5-oxadiazole-3-carboxamide is a drug-like molecule.

MolName : 4-amino-N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-1,2,5-oxadiazole-3-carboxamide

MolecularFormula : C14H10N5O3Br

Smiles : Nc1nonc1C(N/N=C\c1ccc(-c(cc2)ccc2Br)o1)=O

InChI : InChI=1S/C14H10BrN5O3/c15-9-3-1-8(2-4-9)11-6-5-10(22-11)7-17-18-14(21)12-13(16)20-23-19-12/h1-7H,(H2,16,20)(H,18,21)

InChIK : BAAVMOWUIQIJND-UHFFFAOYSA-N

TotalMolweight : 376.169

Molweight : 376.169

MonoisotopicMass : 374.996701

CLogP : 3.1051

CLogS : -4.883

H Acceptors : 8

H Donors : 2

TotalSurfaceArea : 250.8

Relative PSA : 0.40447

PolarSurfaceArea : 119.54

Druglikeness : 6.3535

Mutagenic : high

Tumorigenic : high

Reproductive Effective : none

Irritant : none

Nasty Functions : acyl-hydrazone; imine/hydrazone of aldehyde

Shape Index : 0.65217

Fragments : 1

Non HAtoms : 23

NonCHAtoms : 9

Electronegative Atoms : 9

Rotatable Bond : 4

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 3

Aromatic Atoms : 16

Symmetricatoms : 2

Aromatic Nitrogens : 2

StereoCon :

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1 - 4-amino-N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-1,2,5-oxadiazole-3-carboxamide
2 - 4-amino-N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-1,2,5-oxadiazole-3-carboxamide
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