(E)-3-anthracen-9-yl-2-[4-[5-(3,4-dichlorophenyl)furan-2-yl]-1,3-thiazol-2-yl]prop-2-enenitrile

Formula:C30H16N2OCl2S Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-3-anthracen-9-yl-2-[4-[5-(3,4-dichlorophenyl)furan-2-yl]-1,3-thiazol-2-yl]prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-3-anthracen-9-yl-2-[4-[5-(3,4-dichlorophenyl)furan-2-yl]-1,3-thiazol-2-yl]prop-2-enenitrile
MolecularFormula	C30H16N2OCl2S
Smiles	N#C/C(/c1nc(-c2ccc(-c(cc3)cc(Cl)c3Cl)o2)cs1)=C\c1c(cccc2)c2cc2ccccc12
InChI	InChI=1S/C30H16Cl2N2OS/c31-25-10-9-20(15-26(25)32)28-11-12-29(35-28)27-17-36-30(34-27)21(16-33)14-24-22-7-3-1-5-18(22)13-19-6-2-4-8-23(19)24/h1-15,17H
InChIK	OOTOGSTXVJWHLR-UHFFFAOYSA-N
TotalMolweight	523.442
Molweight	523.442
MonoisotopicMass	522.036037
CLogP	8.4896
CLogS	-10.249
H Acceptors	3
TotalSurfaceArea	383.39
Relative PSA	0.15389
PolarSurfaceArea	78.06
Druglikeness	-0.65757
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	36
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	6
Small Rings	6
Aromatic Rings	6
Aromatic Atoms	30
Symmetricatoms	6
Aromatic Nitrogens	1
StereoCon

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1 - (E)-3-anthracen-9-yl-2-[4-[5-(3,4-dichlorophenyl)furan-2-yl]-1,3-thiazol-2-yl]prop-2-enenitrile | 2 - (E)-3-anthracen-9-yl-2-[4-[5-(3,4-dichlorophenyl)furan-2-yl]-1,3-thiazol-2-yl]prop-2-enenitrile

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