(Z)-1-(benzotriazol-1-yl)-3-[3-(3-nitrophenyl)-1-phenylpyrazol-4-yl]prop-2-en-1-one

Formula:C24H16N6O3 Mutagenic:high Tumorigenic:high Reproductive Effective:none (Z)-1-(benzotriazol-1-yl)-3-[3-(3-nitrophenyl)-1-phenylpyrazol-4-yl]prop-2-en-1-one is a drug-like molecule.

MolName	(Z)-1-(benzotriazol-1-yl)-3-[3-(3-nitrophenyl)-1-phenylpyrazol-4-yl]prop-2-en-1-one
MolecularFormula	C24H16N6O3
Smiles	[O-][N+](c1cc(-c(c(/C=C\C(n2nnc3c2cccc3)=O)c2)nn2-c2ccccc2)ccc1)=O
InChI	InChI=1S/C24H16N6O3/c31-23(29-22-12-5-4-11-21(22)25-27-29)14-13-18-16-28(19-8-2-1-3-9-19)26-24(18)17-7-6-10-20(15-17)30(32)33/h1-16H
InChIK	ZZCVBNLMAHELCJ-UHFFFAOYSA-N
TotalMolweight	436.43
Molweight	436.43
MonoisotopicMass	436.128389
CLogP	2.6065
CLogS	-5.701
H Acceptors	9
TotalSurfaceArea	329.74
Relative PSA	0.27328
PolarSurfaceArea	111.42
Druglikeness	-7.497
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.45455
Fragments	1
Non HAtoms	33
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	26
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	5
AcidicOxygens	1
StereoCon

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