N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine

Formula:C17H14N4ClFS Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine is not a drug-like molecule.

MolName	N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
MolecularFormula	C17H14N4ClFS
Smiles	Fc1cccc(Cl)c1/C=N/Nc1ncnc2c1c(CCCC1)c1s2
InChI	InChI=1S/C17H14ClFN4S/c18-12-5-3-6-13(19)11(12)8-22-23-16-15-10-4-1-2-7-14(10)24-17(15)21-9-20-16/h3,5-6,8-9H,1-2,4,7H2,(H,20,21,23)
InChIK	NYIHJOGPCWLRFQ-UHFFFAOYSA-N
TotalMolweight	360.843
Molweight	360.843
MonoisotopicMass	360.061171
CLogP	6.6103
CLogS	-6.888
H Acceptors	4
H Donors	1
TotalSurfaceArea	260.61
Relative PSA	0.25045
PolarSurfaceArea	78.41
Druglikeness	-2.6657
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.54167
Fragments	1
Non HAtoms	24
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	4
Aromatic Nitrogens	2
StereoCon

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1 - N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine | 2 - N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine

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