1-[2-chloro-5-(trifluoromethyl)phenyl]-3-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]thiourea

Formula:C22H15N5ClF3S2 Mutagenic:high Tumorigenic:none Reproductive Effective:high 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]thiourea is not a drug-like molecule.

MolName	1-[2-chloro-5-(trifluoromethyl)phenyl]-3-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]thiourea
MolecularFormula	C22H15N5ClF3S2
Smiles	FC(c(cc1)cc(NC(N/N=C\c2cn(-c3ccccc3)nc2-c2cccs2)=S)c1Cl)(F)F
InChI	InChI=1S/C22H15ClF3N5S2/c23-17-9-8-15(22(24,25)26)11-18(17)28-21(32)29-27-12-14-13-31(16-5-2-1-3-6-16)30-20(14)19-7-4-10-33-19/h1-13H,(H2,28,29,32)
InChIK	UFAAIIUQLRKCPY-UHFFFAOYSA-N
TotalMolweight	505.975
Molweight	505.975
MonoisotopicMass	505.040946
CLogP	5.989
CLogS	-7.269
H Acceptors	5
H Donors	2
TotalSurfaceArea	361.71
Relative PSA	0.27821
PolarSurfaceArea	114.57
Druglikeness	-1.5986
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.51515
Fragments	1
Non HAtoms	33
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	2
Symmetricatoms	4
Aromatic Nitrogens	2
StereoCon

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1 - 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]thiourea | 2 - 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]thiourea

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