(E)-3-[5-(2,6-dichlorophenyl)furan-2-yl]-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile

Formula:C22H11N3O3Cl2S Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-3-[5-(2,6-dichlorophenyl)furan-2-yl]-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-3-[5-(2,6-dichlorophenyl)furan-2-yl]-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
MolecularFormula	C22H11N3O3Cl2S
Smiles	N#C/C(/c1nc(-c2cc([N+]([O-])=O)ccc2)cs1)=C\c1ccc(-c(c(Cl)ccc2)c2Cl)o1
InChI	InChI=1S/C22H11Cl2N3O3S/c23-17-5-2-6-18(24)21(17)20-8-7-16(30-20)10-14(11-25)22-26-19(12-31-22)13-3-1-4-15(9-13)27(28)29/h1-10,12H
InChIK	CWLINTBHYJYUDK-UHFFFAOYSA-N
TotalMolweight	468.319
Molweight	468.319
MonoisotopicMass	466.989816
CLogP	5.1422
CLogS	-7.829
H Acceptors	6
TotalSurfaceArea	337.86
Relative PSA	0.26467
PolarSurfaceArea	123.88
Druglikeness	-5.702
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.54839
Fragments	1
Non HAtoms	31
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	1
Symmetricatoms	3
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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1 - (E)-3-[5-(2,6-dichlorophenyl)furan-2-yl]-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile | 2 - (E)-3-[5-(2,6-dichlorophenyl)furan-2-yl]-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile

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