5-amino-3-[(Z)-2-(4-bromo-3-nitrophenyl)-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile

Formula:C19H11N6O2Br Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-amino-3-[(Z)-2-(4-bromo-3-nitrophenyl)-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile is a drug-like molecule.

MolName	5-amino-3-[(Z)-2-(4-bromo-3-nitrophenyl)-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile
MolecularFormula	C19H11N6O2Br
Smiles	Nc(n(-c1ccccc1)nc1/C(/C#N)=C/c(cc2)cc([N+]([O-])=O)c2Br)c1C#N
InChI	InChI=1S/C19H11BrN6O2/c20-16-7-6-12(9-17(16)26(27)28)8-13(10-21)18-15(11-22)19(23)25(24-18)14-4-2-1-3-5-14/h1-9H,23H2
InChIK	YSPWLWFIDPKSJY-UHFFFAOYSA-N
TotalMolweight	435.24
Molweight	435.24
MonoisotopicMass	434.012685
CLogP	1.8687
CLogS	-6.056
H Acceptors	8
H Donors	1
TotalSurfaceArea	299.69
Relative PSA	0.30248
PolarSurfaceArea	137.24
Druglikeness	-8.2955
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.5
Fragments	1
Non HAtoms	28
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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