1-(2,4-dichlorophenyl)-3-[(E)-(3-oxoinden-1-ylidene)amino]thiourea

Formula:C16H11N3OCl2S Mutagenic:high Tumorigenic:none Reproductive Effective:high 1-(2,4-dichlorophenyl)-3-[(E)-(3-oxoinden-1-ylidene)amino]thiourea is a drug-like molecule.

MolName	1-(2,4-dichlorophenyl)-3-[(E)-(3-oxoinden-1-ylidene)amino]thiourea
MolecularFormula	C16H11N3OCl2S
Smiles	O=C(C1)c(cccc2)c2/C1=N/NC(Nc(ccc(Cl)c1)c1Cl)=S
InChI	InChI=1S/C16H11Cl2N3OS/c17-9-5-6-13(12(18)7-9)19-16(23)21-20-14-8-15(22)11-4-2-1-3-10(11)14/h1-7H,8H2,(H2,19,21,23)
InChIK	ZATPDSVWKGBRCP-UHFFFAOYSA-N
TotalMolweight	364.255
Molweight	364.255
MonoisotopicMass	362.999986
CLogP	4.5841
CLogS	-6.653
H Acceptors	4
H Donors	2
TotalSurfaceArea	260.47
Relative PSA	0.28975
PolarSurfaceArea	85.58
Druglikeness	1.8425
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.6087
Fragments	1
Non HAtoms	23
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	2
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
StereoCon

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