(E)-N-[(3,5-dichloro-4-hydroxyphenyl)carbamothioyl]-3-phenylprop-2-enamide

Formula:C16H12N2O2Cl2S Mutagenic:none Tumorigenic:none Reproductive Effective:high (E)-N-[(3,5-dichloro-4-hydroxyphenyl)carbamothioyl]-3-phenylprop-2-enamide is a drug-like molecule.

MolName	(E)-N-[(3,5-dichloro-4-hydroxyphenyl)carbamothioyl]-3-phenylprop-2-enamide
MolecularFormula	C16H12N2O2Cl2S
Smiles	Oc(c(Cl)cc(NC(NC(/C=C/c1ccccc1)=O)=S)c1)c1Cl
InChI	InChI=1S/C16H12Cl2N2O2S/c17-12-8-11(9-13(18)15(12)22)19-16(23)20-14(21)7-6-10-4-2-1-3-5-10/h1-9,22H,(H2,19,20,21,23)
InChIK	PFVDMSIPBPVATI-UHFFFAOYSA-N
TotalMolweight	367.255
Molweight	367.255
MonoisotopicMass	365.999652
CLogP	4.185
CLogS	-5.219
H Acceptors	4
H Donors	3
TotalSurfaceArea	270.09
Relative PSA	0.28531
PolarSurfaceArea	93.45
Druglikeness	-0.4315
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.65217
Fragments	1
Non HAtoms	23
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	5
Amides	1
StereoCon

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