(E)-3-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enoate

Formula:C20H13N2O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enoate is a drug-like molecule.

MolName	(E)-3-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enoate
MolecularFormula	C20H13N2O3
Smiles	[O-]C(/C=C/c1cn(-c2ccccc2)nc1-c1cc(cccc2)c2o1)=O
InChI	InChI=1S/C20H14N2O3/c23-19(24)11-10-15-13-22(16-7-2-1-3-8-16)21-20(15)18-12-14-6-4-5-9-17(14)25-18/h1-13H,(H,23,24)/p-1
InChIK	RPBVHEVTQXVWDL-UHFFFAOYSA-M
TotalMolweight	329.334
Molweight	329.334
MonoisotopicMass	329.092618
CLogP	0.8595
CLogS	-4.363
H Acceptors	5
TotalSurfaceArea	256.81
Relative PSA	0.23079
PolarSurfaceArea	71.09
Druglikeness	3.1122
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.48
Fragments	1
Non HAtoms	25
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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