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

Formula:C13H10N2O2Cl2S2 Mutagenic:none Tumorigenic:high Reproductive Effective:high 2,5-dichloro-N-[(Z)-(7,7-dioxo-5,6-dihydrothieno[2,3-b]thiopyran-4-ylidene)amino]aniline is a drug-like molecule.

MolName	2,5-dichloro-N-[(Z)-(7,7-dioxo-5,6-dihydrothieno[2,3-b]thiopyran-4-ylidene)amino]aniline
MolecularFormula	C13H10N2O2Cl2S2
Smiles	O=S(CC1)(c(scc2)c2/C1=N\Nc(cc(cc1)Cl)c1Cl)=O
InChI	InChI=1S/C13H10Cl2N2O2S2/c14-8-1-2-10(15)12(7-8)17-16-11-4-6-21(18,19)13-9(11)3-5-20-13/h1-3,5,7,17H,4,6H2
InChIK	GGQRZNABIISPIF-UHFFFAOYSA-N
TotalMolweight	361.272
Molweight	361.272
MonoisotopicMass	359.956072
CLogP	4.9136
CLogS	-5.363
H Acceptors	4
H Donors	1
TotalSurfaceArea	236.83
Relative PSA	0.30364
PolarSurfaceArea	95.15
Druglikeness	-0.019869
Mutagenic	none
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.52381
Fragments	1
Non HAtoms	21
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	2
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	3
Symmetricatoms	1
StereoCon

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