(E)-3-(3,4-dichlorophenyl)-1-pyrazol-1-ylprop-2-en-1-one

Formula:C12H8N2OCl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(3,4-dichlorophenyl)-1-pyrazol-1-ylprop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-(3,4-dichlorophenyl)-1-pyrazol-1-ylprop-2-en-1-one
MolecularFormula	C12H8N2OCl2
Smiles	O=C(/C=C/c(cc1)cc(Cl)c1Cl)n1nccc1
InChI	InChI=1S/C12H8Cl2N2O/c13-10-4-2-9(8-11(10)14)3-5-12(17)16-7-1-6-15-16/h1-8H
InChIK	IDVIIQRBBRGTRR-UHFFFAOYSA-N
TotalMolweight	267.115
Molweight	267.115
MonoisotopicMass	266.001367
CLogP	2.7361
CLogS	-3.815
H Acceptors	3
TotalSurfaceArea	196.07
Relative PSA	0.15749
PolarSurfaceArea	34.89
Druglikeness	2.5785
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.64706
Fragments	1
Non HAtoms	17
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Aromatic Nitrogens	2
StereoCon

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