3-chloro-N-[(Z)-(7,7-dioxo-5,6-dihydrothieno[2,3-b]thiopyran-4-ylidene)amino]aniline

Formula:C13H11N2O2ClS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-chloro-N-[(Z)-(7,7-dioxo-5,6-dihydrothieno[2,3-b]thiopyran-4-ylidene)amino]aniline is a drug-like molecule.

MolName	3-chloro-N-[(Z)-(7,7-dioxo-5,6-dihydrothieno[2,3-b]thiopyran-4-ylidene)amino]aniline
MolecularFormula	C13H11N2O2ClS2
Smiles	O=S(CC1)(c(scc2)c2/C1=N\Nc1cccc(Cl)c1)=O
InChI	InChI=1S/C13H11ClN2O2S2/c14-9-2-1-3-10(8-9)15-16-12-5-7-20(17,18)13-11(12)4-6-19-13/h1-4,6,8,15H,5,7H2
InChIK	AATSOLCMGCURRU-UHFFFAOYSA-N
TotalMolweight	326.827
Molweight	326.827
MonoisotopicMass	325.995045
CLogP	4.3076
CLogS	-4.627
H Acceptors	4
H Donors	1
TotalSurfaceArea	221.41
Relative PSA	0.32478
PolarSurfaceArea	95.15
Druglikeness	-0.69174
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.55
Fragments	1
Non HAtoms	20
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	2
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	3
Symmetricatoms	1
StereoCon

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