(E)-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]-1-thiophen-2-ylprop-2-en-1-one

Formula:C24H18N2O3S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]-1-thiophen-2-ylprop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]-1-thiophen-2-ylprop-2-en-1-one
MolecularFormula	C24H18N2O3S
Smiles	O=C(/C=C/c1cn(-c2ccccc2)nc1-c(cc1)cc2c1OCCO2)c1cccs1
InChI	InChI=1S/C24H18N2O3S/c27-20(23-7-4-14-30-23)10-8-18-16-26(19-5-2-1-3-6-19)25-24(18)17-9-11-21-22(15-17)29-13-12-28-21/h1-11,14-16H,12-13H2
InChIK	MWHXIPJNGMEQAX-UHFFFAOYSA-N
TotalMolweight	414.484
Molweight	414.484
MonoisotopicMass	414.103813
CLogP	4.0682
CLogS	-5.545
H Acceptors	5
TotalSurfaceArea	314.71
Relative PSA	0.22637
PolarSurfaceArea	81.59
Druglikeness	-1.8841
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.46667
Fragments	1
Non HAtoms	30
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	4
Symmetricatoms	2
Aromatic Nitrogens	2
StereoCon

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