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

Formula:C23H13N6O3Br Mutagenic:high Tumorigenic:high Reproductive Effective:none 3-amino-5-[(Z)-2-[5-(2-bromo-4-nitrophenyl)furan-2-yl]-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile is not a drug-like molecule.

MolName	3-amino-5-[(Z)-2-[5-(2-bromo-4-nitrophenyl)furan-2-yl]-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile
MolecularFormula	C23H13N6O3Br
Smiles	Nc(c(C#N)c1/C(/C#N)=C/c2ccc(-c(ccc([N+]([O-])=O)c3)c3Br)o2)nn1-c1ccccc1
InChI	InChI=1S/C23H13BrN6O3/c24-20-11-16(30(31)32)6-8-18(20)21-9-7-17(33-21)10-14(12-25)22-19(13-26)23(27)28-29(22)15-4-2-1-3-5-15/h1-11H,(H2,27,28)
InChIK	OWUGYYIBIKWARI-UHFFFAOYSA-N
TotalMolweight	501.299
Molweight	501.299
MonoisotopicMass	500.02325
CLogP	2.9041
CLogS	-7.516
H Acceptors	9
H Donors	1
TotalSurfaceArea	349.14
Relative PSA	0.30005
PolarSurfaceArea	150.38
Druglikeness	-7.4389
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.51515
Fragments	1
Non HAtoms	33
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	2
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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

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