(E)-2-(1,3-benzothiazol-2-yl)-3-(1-benzylindol-3-yl)prop-2-enenitrile

Formula:C25H17N3S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-(1,3-benzothiazol-2-yl)-3-(1-benzylindol-3-yl)prop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-(1,3-benzothiazol-2-yl)-3-(1-benzylindol-3-yl)prop-2-enenitrile
MolecularFormula	C25H17N3S
Smiles	N#C/C(/c1nc(cccc2)c2s1)=C\c1cn(Cc2ccccc2)c2c1cccc2
InChI	InChI=1S/C25H17N3S/c26-15-19(25-27-22-11-5-7-13-24(22)29-25)14-20-17-28(16-18-8-2-1-3-9-18)23-12-6-4-10-21(20)23/h1-14,17H,16H2
InChIK	PGSAGUVWAKRRTP-UHFFFAOYSA-N
TotalMolweight	391.497
Molweight	391.497
MonoisotopicMass	391.114317
CLogP	4.8695
CLogS	-4.871
H Acceptors	3
TotalSurfaceArea	306.06
Relative PSA	0.16912
PolarSurfaceArea	69.85
Druglikeness	-1.2014
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.51724
Fragments	1
Non HAtoms	29
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	24
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	2
StereoCon

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