(E)-1-(4-chloro-3-nitrophenyl)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-en-1-one

Formula:C23H15N4O3Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-(4-chloro-3-nitrophenyl)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-(4-chloro-3-nitrophenyl)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-en-1-one
MolecularFormula	C23H15N4O3Cl
Smiles	[O-][N+](c(cc(cc1)C(/C=C/c2cn(-c3ccccc3)nc2-c2cnccc2)=O)c1Cl)=O
InChI	InChI=1S/C23H15ClN4O3/c24-20-10-8-16(13-21(20)28(30)31)22(29)11-9-18-15-27(19-6-2-1-3-7-19)26-23(18)17-5-4-12-25-14-17/h1-15H
InChIK	ACIAWZFLGKHZSD-UHFFFAOYSA-N
TotalMolweight	430.85
Molweight	430.85
MonoisotopicMass	430.083268
CLogP	2.9063
CLogS	-5.754
H Acceptors	7
TotalSurfaceArea	322.6
Relative PSA	0.22402
PolarSurfaceArea	93.6
Druglikeness	-1.7007
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.48387
Fragments	1
Non HAtoms	31
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	3
AcidicOxygens	1
StereoCon

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