[2-(4-nitroanilino)-2-oxoethyl] (E)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enoate

Formula:C24H18N4O5S Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-(4-nitroanilino)-2-oxoethyl] (E)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enoate is a drug-like molecule.

MolName	[2-(4-nitroanilino)-2-oxoethyl] (E)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enoate
MolecularFormula	C24H18N4O5S
Smiles	[O-][N+](c(cc1)ccc1NC(COC(/C=C/c1cn(-c2ccccc2)nc1-c1cccs1)=O)=O)=O
InChI	InChI=1S/C24H18N4O5S/c29-22(25-18-9-11-20(12-10-18)28(31)32)16-33-23(30)13-8-17-15-27(19-5-2-1-3-6-19)26-24(17)21-7-4-14-34-21/h1-15H,16H2,(H,25,29)
InChIK	ADBIRPUPOTYUPV-UHFFFAOYSA-N
TotalMolweight	474.496
Molweight	474.496
MonoisotopicMass	474.099791
CLogP	2.7151
CLogS	-5.295
H Acceptors	9
H Donors	1
TotalSurfaceArea	357.33
Relative PSA	0.32508
PolarSurfaceArea	147.28
Druglikeness	-0.97206
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.58824
Fragments	1
Non HAtoms	34
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	9
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	3
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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