1-benzyl-3-[(Z)-[1-[2-(4-bromophenoxy)ethyl]indol-3-yl]methylideneamino]thiourea

Formula:C25H23N4OBrS Mutagenic:high Tumorigenic:none Reproductive Effective:high 1-benzyl-3-[(Z)-[1-[2-(4-bromophenoxy)ethyl]indol-3-yl]methylideneamino]thiourea is not a drug-like molecule.

MolName	1-benzyl-3-[(Z)-[1-[2-(4-bromophenoxy)ethyl]indol-3-yl]methylideneamino]thiourea
MolecularFormula	C25H23N4OBrS
Smiles	S=C(NCc1ccccc1)N/N=C\c1cn(CCOc(cc2)ccc2Br)c2c1cccc2
InChI	InChI=1S/C25H23BrN4OS/c26-21-10-12-22(13-11-21)31-15-14-30-18-20(23-8-4-5-9-24(23)30)17-28-29-25(32)27-16-19-6-2-1-3-7-19/h1-13,17-18H,14-16H2,(H2,27,29,32)
InChIK	APTCHWWQRROYAR-UHFFFAOYSA-N
TotalMolweight	507.455
Molweight	507.455
MonoisotopicMass	506.077592
CLogP	5.4737
CLogS	-6.114
H Acceptors	5
H Donors	2
TotalSurfaceArea	366.88
Relative PSA	0.21615
PolarSurfaceArea	82.67
Druglikeness	2.7358
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.65625
Fragments	1
Non HAtoms	32
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	5
Symmetricatoms	4
Aromatic Nitrogens	1
StereoCon

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