1-[(Z)-(2-bromo-1-phenylethylidene)amino]-3-[2-(cyclohexen-1-yl)ethyl]-1-(2-hydroxyethyl)thiourea

Formula:C19H26N3OBrS Mutagenic:high Tumorigenic:high Reproductive Effective:high 1-[(Z)-(2-bromo-1-phenylethylidene)amino]-3-[2-(cyclohexen-1-yl)ethyl]-1-(2-hydroxyethyl)thiourea is a drug-like molecule.

MolName	1-[(Z)-(2-bromo-1-phenylethylidene)amino]-3-[2-(cyclohexen-1-yl)ethyl]-1-(2-hydroxyethyl)thiourea
MolecularFormula	C19H26N3OBrS
Smiles	OCCN(C(NCCC1=CCCCC1)=S)/N=C(\CBr)/c1ccccc1
InChI	InChI=1S/C19H26BrN3OS/c20-15-18(17-9-5-2-6-10-17)22-23(13-14-24)19(25)21-12-11-16-7-3-1-4-8-16/h2,5-7,9-10,24H,1,3-4,8,11-15H2,(H,21,25)
InChIK	ODIYRTVCCQQNSQ-UHFFFAOYSA-N
TotalMolweight	424.405
Molweight	424.405
MonoisotopicMass	423.097993
CLogP	3.7986
CLogS	-4.637
H Acceptors	4
H Donors	2
TotalSurfaceArea	310.73
Relative PSA	0.21762
PolarSurfaceArea	79.95
Druglikeness	-8.2976
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	6
Electronegative Atoms	6
Rotatable Bond	8
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	11
Symmetricatoms	2
StereoCon

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1 - 1-[(Z)-(2-bromo-1-phenylethylidene)amino]-3-[2-(cyclohexen-1-yl)ethyl]-1-(2-hydroxyethyl)thiourea | 2 - 1-[(Z)-(2-bromo-1-phenylethylidene)amino]-3-[2-(cyclohexen-1-yl)ethyl]-1-(2-hydroxyethyl)thiourea

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