(Z)-3-(2-nitrophenyl)-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)prop-2-enenitrile

Formula:C16H13N3O2S Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-3-(2-nitrophenyl)-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)prop-2-enenitrile is a drug-like molecule.

MolName	(Z)-3-(2-nitrophenyl)-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)prop-2-enenitrile
MolecularFormula	C16H13N3O2S
Smiles	N#C/C(/c1nc(CCCC2)c2s1)=C/c(cccc1)c1[N+]([O-])=O
InChI	InChI=1S/C16H13N3O2S/c17-10-12(9-11-5-1-3-7-14(11)19(20)21)16-18-13-6-2-4-8-15(13)22-16/h1,3,5,7,9H,2,4,6,8H2
InChIK	SNTHDRSKIGSULW-UHFFFAOYSA-N
TotalMolweight	311.364
Molweight	311.364
MonoisotopicMass	311.072847
CLogP	2.5341
CLogS	-4.345
H Acceptors	5
TotalSurfaceArea	239.35
Relative PSA	0.31464
PolarSurfaceArea	110.74
Druglikeness	-12.503
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.5
Fragments	1
Non HAtoms	22
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	5
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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