[(Z)-[1-[(3,4-dichlorophenyl)methyl]-3-phenylpyrazol-4-yl]methylideneamino]thiourea

Formula:C18H15N5Cl2S Mutagenic:none Tumorigenic:none Reproductive Effective:none [(Z)-[1-[(3,4-dichlorophenyl)methyl]-3-phenylpyrazol-4-yl]methylideneamino]thiourea is a drug-like molecule.

MolName	[(Z)-[1-[(3,4-dichlorophenyl)methyl]-3-phenylpyrazol-4-yl]methylideneamino]thiourea
MolecularFormula	C18H15N5Cl2S
Smiles	NC(N/N=C\c1cn(Cc(cc2)cc(Cl)c2Cl)nc1-c1ccccc1)=S
InChI	InChI=1S/C18H15Cl2N5S/c19-15-7-6-12(8-16(15)20)10-25-11-14(9-22-23-18(21)26)17(24-25)13-4-2-1-3-5-13/h1-9,11H,10H2,(H3,21,23,26)
InChIK	WCJMCOGCFXOIDL-UHFFFAOYSA-N
TotalMolweight	404.324
Molweight	404.324
MonoisotopicMass	403.042519
CLogP	3.914
CLogS	-5.705
H Acceptors	5
H Donors	2
TotalSurfaceArea	302.79
Relative PSA	0.27768
PolarSurfaceArea	100.32
Druglikeness	4.677
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.53846
Fragments	1
Non HAtoms	26
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	2
StereoCon

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