(Z)-3-(4-bromophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile

Formula:C18H11N2BrS Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-3-(4-bromophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile is a drug-like molecule.

MolName	(Z)-3-(4-bromophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile
MolecularFormula	C18H11N2BrS
Smiles	N#C/C(/c1nc(-c2ccccc2)cs1)=C/c(cc1)ccc1Br
InChI	InChI=1S/C18H11BrN2S/c19-16-8-6-13(7-9-16)10-15(11-20)18-21-17(12-22-18)14-4-2-1-3-5-14/h1-10,12H
InChIK	KPMAIRHNDOHOML-UHFFFAOYSA-N
TotalMolweight	367.269
Molweight	367.269
MonoisotopicMass	365.982629
CLogP	4.6381
CLogS	-5.271
H Acceptors	2
TotalSurfaceArea	252.53
Relative PSA	0.17776
PolarSurfaceArea	64.92
Druglikeness	-3.4405
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.63636
Fragments	1
Non HAtoms	22
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Symmetricatoms	4
Aromatic Nitrogens	1
StereoCon

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