3,5-dichloro-2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioylamino]benzoic acid

Formula:C17H11N2O3Cl3S Mutagenic:none Tumorigenic:none Reproductive Effective:high 3,5-dichloro-2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioylamino]benzoic acid is a drug-like molecule.

MolName	3,5-dichloro-2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioylamino]benzoic acid
MolecularFormula	C17H11N2O3Cl3S
Smiles	OC(c1cc(Cl)cc(Cl)c1NC(NC(/C=C/c(cc1)ccc1Cl)=O)=S)=O
InChI	InChI=1S/C17H11Cl3N2O3S/c18-10-4-1-9(2-5-10)3-6-14(23)21-17(26)22-15-12(16(24)25)7-11(19)8-13(15)20/h1-8H,(H,24,25)(H2,21,22,23,26)
InChIK	PLDGFAIGZZKNKI-UHFFFAOYSA-N
TotalMolweight	429.71
Molweight	429.71
MonoisotopicMass	427.955594
CLogP	4.6218
CLogS	-6.264
H Acceptors	5
H Donors	3
TotalSurfaceArea	303.26
Relative PSA	0.2971
PolarSurfaceArea	110.52
Druglikeness	-0.45144
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	low
Nasty Functions	thio-amide/urea
Shape Index	0.61538
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	2
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

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