1-[(Z)-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]-3-(2-fluorophenyl)thiourea

Formula:C25H18N5OFS Mutagenic:high Tumorigenic:none Reproductive Effective:high 1-[(Z)-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]-3-(2-fluorophenyl)thiourea is not a drug-like molecule.

MolName	1-[(Z)-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]-3-(2-fluorophenyl)thiourea
MolecularFormula	C25H18N5OFS
Smiles	Fc(cccc1)c1NC(N/N=C\c1cn(-c2ccccc2)nc1-c1cc(cccc2)c2o1)=S
InChI	InChI=1S/C25H18FN5OS/c26-20-11-5-6-12-21(20)28-25(33)29-27-15-18-16-31(19-9-2-1-3-10-19)30-24(18)23-14-17-8-4-7-13-22(17)32-23/h1-16H,(H2,28,29,33)
InChIK	BORUWPLOKKHMCY-UHFFFAOYSA-N
TotalMolweight	455.516
Molweight	455.516
MonoisotopicMass	455.121608
CLogP	5.1546
CLogS	-6.999
H Acceptors	6
H Donors	2
TotalSurfaceArea	351.53
Relative PSA	0.26848
PolarSurfaceArea	99.47
Druglikeness	2.6537
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.48485
Fragments	1
Non HAtoms	33
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	26
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	2
StereoCon

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