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

Formula:C23H15N3O3S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-(1,3-benzothiazol-2-yl)-3-[3-[(4-nitrophenyl)methoxy]phenyl]prop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-(1,3-benzothiazol-2-yl)-3-[3-[(4-nitrophenyl)methoxy]phenyl]prop-2-enenitrile
MolecularFormula	C23H15N3O3S
Smiles	N#C/C(/c1nc(cccc2)c2s1)=C\c1cc(OCc(cc2)ccc2[N+]([O-])=O)ccc1
InChI	InChI=1S/C23H15N3O3S/c24-14-18(23-25-21-6-1-2-7-22(21)30-23)12-17-4-3-5-20(13-17)29-15-16-8-10-19(11-9-16)26(27)28/h1-13H,15H2
InChIK	OMCBIGMGIAUTJO-UHFFFAOYSA-N
TotalMolweight	413.456
Molweight	413.456
MonoisotopicMass	413.083412
CLogP	3.7663
CLogS	-5.694
H Acceptors	6
TotalSurfaceArea	315.93
Relative PSA	0.27003
PolarSurfaceArea	119.97
Druglikeness	-8.3535
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.6
Fragments	1
Non HAtoms	30
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	3
Symmetricatoms	2
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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