(Z)-4-(1,3-benzothiazol-2-yl)-5-(4-chloro-3-nitrophenyl)pent-4-enoic acid

Formula:C18H13N2O4ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-4-(1,3-benzothiazol-2-yl)-5-(4-chloro-3-nitrophenyl)pent-4-enoic acid is a drug-like molecule.

MolName	(Z)-4-(1,3-benzothiazol-2-yl)-5-(4-chloro-3-nitrophenyl)pent-4-enoic acid
MolecularFormula	C18H13N2O4ClS
Smiles	[O-][N+](c(cc(/C=C(/CCC(O)=O)\c1nc(cccc2)c2s1)cc1)c1Cl)=O
InChI	InChI=1S/C18H13ClN2O4S/c19-13-7-5-11(10-15(13)21(24)25)9-12(6-8-17(22)23)18-20-14-3-1-2-4-16(14)26-18/h1-5,7,9-10H,6,8H2,(H,22,23)
InChIK	GHVAFTZKRDDKEC-UHFFFAOYSA-N
TotalMolweight	388.83
Molweight	388.83
MonoisotopicMass	388.028455
CLogP	3.4111
CLogS	-4.956
H Acceptors	6
H Donors	1
TotalSurfaceArea	277.74
Relative PSA	0.31645
PolarSurfaceArea	124.25
Druglikeness	-4.398
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.46154
Fragments	1
Non HAtoms	26
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	4
Aromatic Nitrogens	1
AcidicOxygens	2
StereoCon

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