(E)-N-[[4-(4-chlorophenoxy)phenyl]carbamothioyl]-3-(furan-2-yl)prop-2-enamide

Formula:C20H15N2O3ClS Mutagenic:high Tumorigenic:none Reproductive Effective:high (E)-N-[[4-(4-chlorophenoxy)phenyl]carbamothioyl]-3-(furan-2-yl)prop-2-enamide is a drug-like molecule.

MolName	(E)-N-[[4-(4-chlorophenoxy)phenyl]carbamothioyl]-3-(furan-2-yl)prop-2-enamide
MolecularFormula	C20H15N2O3ClS
Smiles	O=C(/C=C/c1ccco1)NC(Nc(cc1)ccc1Oc(cc1)ccc1Cl)=S
InChI	InChI=1S/C20H15ClN2O3S/c21-14-3-7-17(8-4-14)26-18-9-5-15(6-10-18)22-20(27)23-19(24)12-11-16-2-1-13-25-16/h1-13H,(H2,22,23,24,27)
InChIK	AJTFGQCOUKOROX-UHFFFAOYSA-N
TotalMolweight	398.869
Molweight	398.869
MonoisotopicMass	398.04919
CLogP	4.509
CLogS	-6.758
H Acceptors	5
H Donors	2
TotalSurfaceArea	307.77
Relative PSA	0.28616
PolarSurfaceArea	95.59
Druglikeness	-0.16938
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.7037
Fragments	1
Non HAtoms	27
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	4
Amides	1
StereoCon

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