3-[(E)-2-phenylethenyl]-2-thia-4-azatricyclo[7.3.1.05,13]trideca-1(12),3,5,7,9(13),10-hexaene

Formula:C19H13NS Mutagenic:high Tumorigenic:high Reproductive Effective:none 3-[(E)-2-phenylethenyl]-2-thia-4-azatricyclo[7.3.1.05,13]trideca-1(12),3,5,7,9(13),10-hexaene is a drug-like molecule.

MolName	3-[(E)-2-phenylethenyl]-2-thia-4-azatricyclo[7.3.1.05,13]trideca-1(12),3,5,7,9(13),10-hexaene
MolecularFormula	C19H13NS
Smiles	C(c1ccccc1)=C/C(S1)=Nc2c3c1cccc3ccc2
InChI	InChI=1S/C19H13NS/c1-2-6-14(7-3-1)12-13-18-20-16-10-4-8-15-9-5-11-17(21-18)19(15)16/h1-13H
InChIK	UEOSSECFWCLKCA-UHFFFAOYSA-N
TotalMolweight	287.385
Molweight	287.385
MonoisotopicMass	287.076869
CLogP	3.875
CLogS	-5.124
H Acceptors	1
TotalSurfaceArea	221.08
Relative PSA	0.13117
PolarSurfaceArea	37.66
Druglikeness	0.85518
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57143
Fragments	1
Non HAtoms	21
NonCHAtoms	2
Electronegative Atoms	2
Rotatable Bond	2
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	1
Symmetricatoms	2
StereoCon

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