(E)-3-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-2-benzoylprop-2-enenitrile

Formula:C27H17N3O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-2-benzoylprop-2-enenitrile is a drug-like molecule.

MolName	(E)-3-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-2-benzoylprop-2-enenitrile
MolecularFormula	C27H17N3O2
Smiles	N#C/C(/C(c1ccccc1)=O)=C\c1cn(-c2ccccc2)nc1-c1cc(cccc2)c2o1
InChI	InChI=1S/C27H17N3O2/c28-17-21(27(31)19-9-3-1-4-10-19)15-22-18-30(23-12-5-2-6-13-23)29-26(22)25-16-20-11-7-8-14-24(20)32-25/h1-16,18H
InChIK	OLPBCKDZQPDNGR-UHFFFAOYSA-N
TotalMolweight	415.451
Molweight	415.451
MonoisotopicMass	415.132077
CLogP	4.6174
CLogS	-6.476
H Acceptors	5
TotalSurfaceArea	328.96
Relative PSA	0.17799
PolarSurfaceArea	71.82
Druglikeness	-1.2846
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.4375
Fragments	1
Non HAtoms	32
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	26
Symmetricatoms	4
Aromatic Nitrogens	2
StereoCon

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