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

Formula:C24H17N5ClF3S Mutagenic:high Tumorigenic:none Reproductive Effective:high 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]thiourea is not a drug-like molecule.

MolName	1-[2-chloro-5-(trifluoromethyl)phenyl]-3-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]thiourea
MolecularFormula	C24H17N5ClF3S
Smiles	FC(c(cc1)cc(NC(N/N=C\c2cn(-c3ccccc3)nc2-c2ccccc2)=S)c1Cl)(F)F
InChI	InChI=1S/C24H17ClF3N5S/c25-20-12-11-18(24(26,27)28)13-21(20)30-23(34)31-29-14-17-15-33(19-9-5-2-6-10-19)32-22(17)16-7-3-1-4-8-16/h1-15H,(H2,30,31,34)
InChIK	CBLUUYMBEAPIAO-UHFFFAOYSA-N
TotalMolweight	499.947
Molweight	499.947
MonoisotopicMass	499.084526
CLogP	5.9655
CLogS	-7.348
H Acceptors	5
H Donors	2
TotalSurfaceArea	365.77
Relative PSA	0.21945
PolarSurfaceArea	86.33
Druglikeness	-3.1515
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.5
Fragments	1
Non HAtoms	34
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	2
Symmetricatoms	6
Aromatic Nitrogens	2
StereoCon

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