(E)-3-(4-chlorophenyl)-N-[(6-hydroxynaphthalen-1-yl)carbamothioyl]prop-2-enamide

Formula:C20H15N2O2ClS Mutagenic:high Tumorigenic:high Reproductive Effective:high (E)-3-(4-chlorophenyl)-N-[(6-hydroxynaphthalen-1-yl)carbamothioyl]prop-2-enamide is a drug-like molecule.

MolName	(E)-3-(4-chlorophenyl)-N-[(6-hydroxynaphthalen-1-yl)carbamothioyl]prop-2-enamide
MolecularFormula	C20H15N2O2ClS
Smiles	Oc1ccc2c(NC(NC(/C=C/c(cc3)ccc3Cl)=O)=S)cccc2c1
InChI	InChI=1S/C20H15ClN2O2S/c21-15-7-4-13(5-8-15)6-11-19(25)23-20(26)22-18-3-1-2-14-12-16(24)9-10-17(14)18/h1-12,24H,(H2,22,23,25,26)
InChIK	OUCSVRIDRGXMFY-UHFFFAOYSA-N
TotalMolweight	382.87
Molweight	382.87
MonoisotopicMass	382.054275
CLogP	4.7734
CLogS	-6.089
H Acceptors	4
H Donors	3
TotalSurfaceArea	289.27
Relative PSA	0.26639
PolarSurfaceArea	93.45
Druglikeness	-0.4315
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.65385
Fragments	1
Non HAtoms	26
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	2
Symmetricatoms	2
Amides	1
StereoCon

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