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

Formula:C21H19N4BrS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[(Z)-[4-(5-bromothiophen-2-yl)-2-cyclohexylimino-1,3-thiazol-3-yl]iminomethyl]benzonitrile is not a drug-like molecule.

MolName	4-[(Z)-[4-(5-bromothiophen-2-yl)-2-cyclohexylimino-1,3-thiazol-3-yl]iminomethyl]benzonitrile
MolecularFormula	C21H19N4BrS2
Smiles	N#Cc1ccc(/C=N\N(C(c(s2)ccc2Br)=CS2)/C2=N/C2CCCCC2)cc1
InChI	InChI=1S/C21H19BrN4S2/c22-20-11-10-19(28-20)18-14-27-21(25-17-4-2-1-3-5-17)26(18)24-13-16-8-6-15(12-23)7-9-16/h6-11,13-14,17H,1-5H2
InChIK	XZXDSVFOMHNLBX-UHFFFAOYSA-N
TotalMolweight	471.446
Molweight	471.446
MonoisotopicMass	470.023447
CLogP	6.2378
CLogS	-7.68
H Acceptors	4
TotalSurfaceArea	323.83
Relative PSA	0.24081
PolarSurfaceArea	105.29
Druglikeness	-9.2042
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.53571
Fragments	1
Non HAtoms	28
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	7
Symmetricatoms	4
BasicNitrogens	1
StereoCon

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