(E)-3-(2-chlorophenyl)-1-pyrazol-1-ylprop-2-en-1-one

Formula:C12H9N2OCl Mutagenic:none Tumorigenic:high Reproductive Effective:none (E)-3-(2-chlorophenyl)-1-pyrazol-1-ylprop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-(2-chlorophenyl)-1-pyrazol-1-ylprop-2-en-1-one
MolecularFormula	C12H9N2OCl
Smiles	O=C(/C=C/c(cccc1)c1Cl)n1nccc1
InChI	InChI=1S/C12H9ClN2O/c13-11-5-2-1-4-10(11)6-7-12(16)15-9-3-8-14-15/h1-9H
InChIK	MTIBBBMXPDAIDL-UHFFFAOYSA-N
TotalMolweight	232.669
Molweight	232.669
MonoisotopicMass	232.04034
CLogP	2.1301
CLogS	-3.079
H Acceptors	3
TotalSurfaceArea	180.65
Relative PSA	0.17094
PolarSurfaceArea	34.89
Druglikeness	2.5785
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.625
Fragments	1
Non HAtoms	16
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Aromatic Nitrogens	2
StereoCon

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