(Z)-2-(1,3-benzothiazol-2-yl)-3-[4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]phenyl]prop-2-enenitrile

Formula:C26H14N4S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-2-(1,3-benzothiazol-2-yl)-3-[4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]phenyl]prop-2-enenitrile is not a drug-like molecule.

MolName	(Z)-2-(1,3-benzothiazol-2-yl)-3-[4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]phenyl]prop-2-enenitrile
MolecularFormula	C26H14N4S2
Smiles	N#C/C(/c1nc(cccc2)c2s1)=C/c1ccc(/C=C(/c2nc(cccc3)c3s2)\C#N)cc1
InChI	InChI=1S/C26H14N4S2/c27-15-19(25-29-21-5-1-3-7-23(21)31-25)13-17-9-11-18(12-10-17)14-20(16-28)26-30-22-6-2-4-8-24(22)32-26/h1-14H
InChIK	BHPJTTOEHUZSKA-UHFFFAOYSA-N
TotalMolweight	446.557
Molweight	446.557
MonoisotopicMass	446.065986
CLogP	5.02
CLogS	-6.17
H Acceptors	4
TotalSurfaceArea	344.22
Relative PSA	0.26082
PolarSurfaceArea	129.84
Druglikeness	-3.0693
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5625
Fragments	1
Non HAtoms	32
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	24
Symmetricatoms	2
Aromatic Nitrogens	2
StereoCon

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1 - (Z)-2-(1,3-benzothiazol-2-yl)-3-[4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]phenyl]prop-2-enenitrile | 2 - (Z)-2-(1,3-benzothiazol-2-yl)-3-[4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]phenyl]prop-2-enenitrile

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