(E)-2-[4-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enenitrile

Formula:C19H9N2O3BrS Mutagenic:high Tumorigenic:none Reproductive Effective:none (E)-2-[4-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-[4-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enenitrile
MolecularFormula	C19H9N2O3BrS
Smiles	N#C/C(/c1nc(C2=Cc(cc(cc3)Br)c3OC2=O)cs1)=C\c1ccco1
InChI	InChI=1S/C19H9BrN2O3S/c20-13-3-4-17-11(6-13)8-15(19(23)25-17)16-10-26-18(22-16)12(9-21)7-14-2-1-5-24-14/h1-8,10H
InChIK	FMHPRJSBPGREJA-UHFFFAOYSA-N
TotalMolweight	425.261
Molweight	425.261
MonoisotopicMass	423.951724
CLogP	3.2236
CLogS	-4.91
H Acceptors	5
TotalSurfaceArea	281.18
Relative PSA	0.29177
PolarSurfaceArea	104.36
Druglikeness	-3.3135
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.53846
Fragments	1
Non HAtoms	26
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	1
Aromatic Nitrogens	1
StereoCon

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