(E)-N-[[(2,4-dichlorobenzoyl)amino]carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide

Formula:C17H12N3O2Cl2FS Mutagenic:high Tumorigenic:none Reproductive Effective:high (E)-N-[[(2,4-dichlorobenzoyl)amino]carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide is a drug-like molecule.

MolName	(E)-N-[[(2,4-dichlorobenzoyl)amino]carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide
MolecularFormula	C17H12N3O2Cl2FS
Smiles	O=C(/C=C/c(cc1)ccc1F)NC(NNC(c(ccc(Cl)c1)c1Cl)=O)=S
InChI	InChI=1S/C17H12Cl2FN3O2S/c18-11-4-7-13(14(19)9-11)16(25)22-23-17(26)21-15(24)8-3-10-1-5-12(20)6-2-10/h1-9H,(H,22,25)(H2,21,23,24,26)
InChIK	ZTRJHCFTPPORII-UHFFFAOYSA-N
TotalMolweight	412.271
Molweight	412.271
MonoisotopicMass	411.001129
CLogP	3.442
CLogS	-6.011
H Acceptors	5
H Donors	3
TotalSurfaceArea	299.3
Relative PSA	0.29556
PolarSurfaceArea	102.32
Druglikeness	-0.19313
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.69231
Fragments	1
Non HAtoms	26
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	2
Amides	1
StereoCon

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