(4Z)-2-(4-bromophenyl)-4-[(3-chloro-5-ethoxy-4-hydroxyphenyl)methylidene]-5-methylpyrazol-3-one

Formula:C19H16N2O3BrCl Mutagenic:none Tumorigenic:none Reproductive Effective:none (4Z)-2-(4-bromophenyl)-4-[(3-chloro-5-ethoxy-4-hydroxyphenyl)methylidene]-5-methylpyrazol-3-one is a drug-like molecule.

MolName	(4Z)-2-(4-bromophenyl)-4-[(3-chloro-5-ethoxy-4-hydroxyphenyl)methylidene]-5-methylpyrazol-3-one
MolecularFormula	C19H16N2O3BrCl
Smiles	CCOc1cc(/C=C(/C(C)=NN2c(cc3)ccc3Br)\C2=O)cc(Cl)c1O
InChI	InChI=1S/C19H16BrClN2O3/c1-3-26-17-10-12(9-16(21)18(17)24)8-15-11(2)22-23(19(15)25)14-6-4-13(20)5-7-14/h4-10,24H,3H2,1-2H3/b15-8-
InChIK	KQQQWAGPPDBVJD-NVNXTCNLSA-N
TotalMolweight	435.704
Molweight	435.704
MonoisotopicMass	434.003281
CLogP	4.8856
CLogS	-5.029
H Acceptors	5
H Donors	1
TotalSurfaceArea	283.93
Relative PSA	0.18033
PolarSurfaceArea	62.13
Druglikeness	1.3729
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.57692
Fragments	1
Non HAtoms	26
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
Symmetricatoms	2
StereoCon

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