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C15H11N4O3Br | Cheminformatics
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5-bromo-N-[(Z)-[(E)-3-(3-nitrophenyl)prop-2-enylidene]amino]pyridine-3-carboxamide

Molecular Formula : C15H11N4O3Br | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
5-bromo-N-[(Z)-[(E)-3-(3-nitrophenyl)prop-2-enylidene]amino]pyridine-3-carboxamide is a drug-like molecule.

MolName : 5-bromo-N-[(Z)-[(E)-3-(3-nitrophenyl)prop-2-enylidene]amino]pyridine-3-carboxamide

MolecularFormula : C15H11N4O3Br

Smiles : [O-][N+](c1cccc(/C=C/C=N\NC(c2cc(Br)cnc2)=O)c1)=O

InChI : InChI=1S/C15H11BrN4O3/c16-13-8-12(9-17-10-13)15(21)19-18-6-2-4-11-3-1-5-14(7-11)20(22)23/h1-10H,(H,19,21)

InChIK : DGGNERBVJBYBMW-UHFFFAOYSA-N

TotalMolweight : 375.181

Molweight : 375.181

MonoisotopicMass : 374.001452

CLogP : 2.0226

CLogS : -4.512

H Acceptors : 7

H Donors : 1

TotalSurfaceArea : 254.55

Relative PSA : 0.30407

PolarSurfaceArea : 100.17

Druglikeness : -2.5095

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

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

Shape Index : 0.65217

Fragments : 1

Non HAtoms : 23

NonCHAtoms : 8

Electronegative Atoms : 8

Rotatable Bond : 5

Rings Closures : 2

Small Rings : 2

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 1

Aromatic Nitrogens : 1

AcidicOxygens : 1

StereoCon :

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