4-[(Z)-[4-(5-bromothiophen-2-yl)-2-(2-fluorophenyl)imino-1,3-thiazol-3-yl]iminomethyl]benzonitrile

Formula:C21H12N4BrFS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[(Z)-[4-(5-bromothiophen-2-yl)-2-(2-fluorophenyl)imino-1,3-thiazol-3-yl]iminomethyl]benzonitrile is not a drug-like molecule.

MolName	4-[(Z)-[4-(5-bromothiophen-2-yl)-2-(2-fluorophenyl)imino-1,3-thiazol-3-yl]iminomethyl]benzonitrile
MolecularFormula	C21H12N4BrFS2
Smiles	N#Cc1ccc(/C=N\N(C(c(s2)ccc2Br)=CS2)/C2=N/c(cccc2)c2F)cc1
InChI	InChI=1S/C21H12BrFN4S2/c22-20-10-9-19(29-20)18-13-28-21(26-17-4-2-1-3-16(17)23)27(18)25-12-15-7-5-14(11-24)6-8-15/h1-10,12-13H
InChIK	KIXPCHLIWVOFMA-UHFFFAOYSA-N
TotalMolweight	483.388
Molweight	483.388
MonoisotopicMass	481.967075
CLogP	6.097
CLogS	-7.582
H Acceptors	4
TotalSurfaceArea	322.14
Relative PSA	0.24207
PolarSurfaceArea	105.29
Druglikeness	-4.0775
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.51724
Fragments	1
Non HAtoms	29
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Symmetricatoms	2
StereoCon

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