1-benzyl-3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]thiourea

Formula:C17H16N3OClS Mutagenic:high Tumorigenic:none Reproductive Effective:high 1-benzyl-3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]thiourea is a drug-like molecule.

MolName	1-benzyl-3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]thiourea
MolecularFormula	C17H16N3OClS
Smiles	O=C(/C=C/c(cc1)ccc1Cl)NNC(NCc1ccccc1)=S
InChI	InChI=1S/C17H16ClN3OS/c18-15-9-6-13(7-10-15)8-11-16(22)20-21-17(23)19-12-14-4-2-1-3-5-14/h1-11H,12H2,(H,20,22)(H2,19,21,23)
InChIK	KNHOAMFYXNVNOZ-UHFFFAOYSA-N
TotalMolweight	345.853
Molweight	345.853
MonoisotopicMass	345.070259
CLogP	2.6528
CLogS	-4.832
H Acceptors	4
H Donors	3
TotalSurfaceArea	273.54
Relative PSA	0.27572
PolarSurfaceArea	85.25
Druglikeness	1.2985
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.73913
Fragments	1
Non HAtoms	23
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	4
StereoCon

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