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

Formula:C21H10N2O2Cl2S Mutagenic:none Tumorigenic:high Reproductive Effective:none (E)-2-[4-(6-chloro-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-(2-chlorophenyl)prop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-[4-(6-chloro-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-(2-chlorophenyl)prop-2-enenitrile
MolecularFormula	C21H10N2O2Cl2S
Smiles	N#C/C(/c1nc(C2=Cc(cc(cc3)Cl)c3OC2=O)cs1)=C\c(cccc1)c1Cl
InChI	InChI=1S/C21H10Cl2N2O2S/c22-15-5-6-19-13(8-15)9-16(21(26)27-19)18-11-28-20(25-18)14(10-24)7-12-3-1-2-4-17(12)23/h1-9,11H
InChIK	YGBSHTMIICLXBQ-UHFFFAOYSA-N
TotalMolweight	425.294
Molweight	425.294
MonoisotopicMass	423.984002
CLogP	4.5217
CLogS	-5.866
H Acceptors	4
TotalSurfaceArea	303.7
Relative PSA	0.22367
PolarSurfaceArea	91.22
Druglikeness	-1.214
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.53571
Fragments	1
Non HAtoms	28
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Aromatic Nitrogens	1
StereoCon

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