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

Formula:C30H17N2OClS Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-3-anthracen-9-yl-2-[4-[5-(4-chlorophenyl)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-(4-chlorophenyl)furan-2-yl]-1,3-thiazol-2-yl]prop-2-enenitrile
MolecularFormula	C30H17N2OClS
Smiles	N#C/C(/c1nc(-c2ccc(-c(cc3)ccc3Cl)o2)cs1)=C\c1c(cccc2)c2cc2ccccc12
InChI	InChI=1S/C30H17ClN2OS/c31-23-11-9-19(10-12-23)28-13-14-29(34-28)27-18-35-30(33-27)22(17-32)16-26-24-7-3-1-5-20(24)15-21-6-2-4-8-25(21)26/h1-16,18H
InChIK	CKDWTSQXWATMSO-UHFFFAOYSA-N
TotalMolweight	488.997
Molweight	488.997
MonoisotopicMass	488.07501
CLogP	7.8836
CLogS	-9.513
H Acceptors	3
TotalSurfaceArea	367.97
Relative PSA	0.16034
PolarSurfaceArea	78.06
Druglikeness	-0.65757
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.51429
Fragments	1
Non HAtoms	35
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	4
Rings Closures	6
Small Rings	6
Aromatic Rings	6
Aromatic Atoms	30
Symmetricatoms	8
Aromatic Nitrogens	1
StereoCon

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

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