(Z)-2-(1,3-benzothiazol-2-yl)-3-(3-nitrophenyl)-1-phenylprop-2-en-1-one

Formula:C22H14N2O3S Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-2-(1,3-benzothiazol-2-yl)-3-(3-nitrophenyl)-1-phenylprop-2-en-1-one is a drug-like molecule.

MolName	(Z)-2-(1,3-benzothiazol-2-yl)-3-(3-nitrophenyl)-1-phenylprop-2-en-1-one
MolecularFormula	C22H14N2O3S
Smiles	[O-][N+](c1cccc(/C=C(/C(c2ccccc2)=O)\c2nc(cccc3)c3s2)c1)=O
InChI	InChI=1S/C22H14N2O3S/c25-21(16-8-2-1-3-9-16)18(14-15-7-6-10-17(13-15)24(26)27)22-23-19-11-4-5-12-20(19)28-22/h1-14H
InChIK	KLGWFMOKJUOZKV-UHFFFAOYSA-N
TotalMolweight	386.43
Molweight	386.43
MonoisotopicMass	386.072513
CLogP	3.7262
CLogS	-5.521
H Acceptors	5
TotalSurfaceArea	288.21
Relative PSA	0.2595
PolarSurfaceArea	104.02
Druglikeness	-2.8195
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.42857
Fragments	1
Non HAtoms	28
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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