(Z)-4-(1,3-benzothiazol-2-yl)-5-(3-nitro-4-piperidin-1-ylphenyl)pent-4-enoic acid

Formula:C23H23N3O4S Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-4-(1,3-benzothiazol-2-yl)-5-(3-nitro-4-piperidin-1-ylphenyl)pent-4-enoic acid is a drug-like molecule.

MolName	(Z)-4-(1,3-benzothiazol-2-yl)-5-(3-nitro-4-piperidin-1-ylphenyl)pent-4-enoic acid
MolecularFormula	C23H23N3O4S
Smiles	[O-][N+](c(cc(/C=C(/CCC(O)=O)\c1nc(cccc2)c2s1)cc1)c1N1CCCCC1)=O
InChI	InChI=1S/C23H23N3O4S/c27-22(28)11-9-17(23-24-18-6-2-3-7-21(18)31-23)14-16-8-10-19(20(15-16)26(29)30)25-12-4-1-5-13-25/h2-3,6-8,10,14-15H,1,4-5,9,11-13H2,(H,27,28)
InChIK	XYGKXMABQWTMLL-UHFFFAOYSA-N
TotalMolweight	437.519
Molweight	437.519
MonoisotopicMass	437.140927
CLogP	3.6381
CLogS	-5.212
H Acceptors	7
H Donors	1
TotalSurfaceArea	327.92
Relative PSA	0.27885
PolarSurfaceArea	127.49
Druglikeness	-3.1019
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.48387
Fragments	1
Non HAtoms	31
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	10
Symmetricatoms	2
Amines	1
Aromatic Amines	1
Aromatic Nitrogens	1
AcidicOxygens	2
StereoCon

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