1,3-benzothiazol-2-ylmethyl (3E)-3-[(4-chlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate

Formula:C28H19N2O2ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none 1,3-benzothiazol-2-ylmethyl (3E)-3-[(4-chlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate is not a drug-like molecule.

MolName	1,3-benzothiazol-2-ylmethyl (3E)-3-[(4-chlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
MolecularFormula	C28H19N2O2ClS
Smiles	O=C(c1c(CC/C2=C\c(cc3)ccc3Cl)c2nc2ccccc12)OCc1nc(cccc2)c2s1
InChI	InChI=1S/C28H19ClN2O2S/c29-19-12-9-17(10-13-19)15-18-11-14-21-26(20-5-1-2-6-22(20)31-27(18)21)28(32)33-16-25-30-23-7-3-4-8-24(23)34-25/h1-10,12-13,15H,11,14,16H2
InChIK	BDKIKGCJHWKLGP-UHFFFAOYSA-N
TotalMolweight	482.99
Molweight	482.99
MonoisotopicMass	482.085575
CLogP	6.2855
CLogS	-6.994
H Acceptors	4
TotalSurfaceArea	351.1
Relative PSA	0.1861
PolarSurfaceArea	80.32
Druglikeness	0.63984
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.52941
Fragments	1
Non HAtoms	34
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	6
Small Rings	6
Aromatic Rings	5
Aromatic Atoms	25
Sp3Atoms	4
Symmetricatoms	2
Aromatic Nitrogens	2
StereoCon

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