1-[(E)-(2-bromo-1-phenylethylidene)amino]-3-[(4-chlorophenyl)methyl]-1-(2-hydroxyethyl)thiourea

Formula:C18H19N3OBrClS Mutagenic:high Tumorigenic:high Reproductive Effective:high 1-[(E)-(2-bromo-1-phenylethylidene)amino]-3-[(4-chlorophenyl)methyl]-1-(2-hydroxyethyl)thiourea is a drug-like molecule.

MolName	1-[(E)-(2-bromo-1-phenylethylidene)amino]-3-[(4-chlorophenyl)methyl]-1-(2-hydroxyethyl)thiourea
MolecularFormula	C18H19N3OBrClS
Smiles	OCCN(C(NCc(cc1)ccc1Cl)=S)/N=C(/CBr)\c1ccccc1
InChI	InChI=1S/C18H19BrClN3OS/c19-12-17(15-4-2-1-3-5-15)22-23(10-11-24)18(25)21-13-14-6-8-16(20)9-7-14/h1-9,24H,10-13H2,(H,21,25)
InChIK	VQZLQHIUZHQQNL-UHFFFAOYSA-N
TotalMolweight	440.792
Molweight	440.792
MonoisotopicMass	439.01207
CLogP	3.7224
CLogS	-5.064
H Acceptors	4
H Donors	2
TotalSurfaceArea	305.9
Relative PSA	0.22105
PolarSurfaceArea	79.95
Druglikeness	-2.7495
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	prim. alkyl-bromide/iodide; thio-amide/urea
Shape Index	0.6
Fragments	1
Non HAtoms	25
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Symmetricatoms	4
StereoCon

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1 - 1-[(E)-(2-bromo-1-phenylethylidene)amino]-3-[(4-chlorophenyl)methyl]-1-(2-hydroxyethyl)thiourea | 2 - 1-[(E)-(2-bromo-1-phenylethylidene)amino]-3-[(4-chlorophenyl)methyl]-1-(2-hydroxyethyl)thiourea

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