(5Z)-2-(azepan-1-yl)-5-[(2,4-dichlorophenyl)methylidene]-1,3-thiazol-4-one

Formula:C16H16N2OCl2S Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-2-(azepan-1-yl)-5-[(2,4-dichlorophenyl)methylidene]-1,3-thiazol-4-one is a drug-like molecule.

MolName	(5Z)-2-(azepan-1-yl)-5-[(2,4-dichlorophenyl)methylidene]-1,3-thiazol-4-one
MolecularFormula	C16H16N2OCl2S
Smiles	O=C1N=C(N2CCCCCC2)S/C1=C\c(ccc(Cl)c1)c1Cl
InChI	InChI=1S/C16H16Cl2N2OS/c17-12-6-5-11(13(18)10-12)9-14-15(21)19-16(22-14)20-7-3-1-2-4-8-20/h5-6,9-10H,1-4,7-8H2
InChIK	DHQRDEZELJCRSB-UHFFFAOYSA-N
TotalMolweight	355.288
Molweight	355.288
MonoisotopicMass	354.036037
CLogP	4.303
CLogS	-5.541
H Acceptors	3
TotalSurfaceArea	252.88
Relative PSA	0.18028
PolarSurfaceArea	57.97
Druglikeness	0.13229
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.59091
Fragments	1
Non HAtoms	22
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	1
Rings Closures	3
Small Rings	3
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	7
Symmetricatoms	3
BasicNitrogens	1
StereoCon

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