(E)-3-[3-(3-nitrophenyl)-1-phenylpyrazol-4-yl]-N-(3-sulfamoylphenyl)prop-2-enamide

Formula:C24H19N5O5S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-[3-(3-nitrophenyl)-1-phenylpyrazol-4-yl]-N-(3-sulfamoylphenyl)prop-2-enamide is a drug-like molecule.

MolName	(E)-3-[3-(3-nitrophenyl)-1-phenylpyrazol-4-yl]-N-(3-sulfamoylphenyl)prop-2-enamide
MolecularFormula	C24H19N5O5S
Smiles	NS(c1cc(NC(/C=C/c2cn(-c3ccccc3)nc2-c2cc([N+]([O-])=O)ccc2)=O)ccc1)(=O)=O
InChI	InChI=1S/C24H19N5O5S/c25-35(33,34)22-11-5-7-19(15-22)26-23(30)13-12-18-16-28(20-8-2-1-3-9-20)27-24(18)17-6-4-10-21(14-17)29(31)32/h1-16H,(H,26,30)(H2,25,33,34)
InChIK	INFDFQWUFSZKIE-UHFFFAOYSA-N
TotalMolweight	489.511
Molweight	489.511
MonoisotopicMass	489.11069
CLogP	1.8977
CLogS	-5.37
H Acceptors	10
H Donors	2
TotalSurfaceArea	356.98
Relative PSA	0.32666
PolarSurfaceArea	161.28
Druglikeness	-6.0985
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	aromatic nitro
Shape Index	0.45714
Fragments	1
Non HAtoms	35
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	2
Symmetricatoms	3
Amides	2
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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