3-[(4-chlorophenyl)methylsulfanyl]-8-fluoro-5H-[1,2,4]triazino[5,6-b]indole

Formula:C16H10N4ClFS Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[(4-chlorophenyl)methylsulfanyl]-8-fluoro-5H-[1,2,4]triazino[5,6-b]indole is a drug-like molecule.

MolName	3-[(4-chlorophenyl)methylsulfanyl]-8-fluoro-5H-[1,2,4]triazino[5,6-b]indole
MolecularFormula	C16H10N4ClFS
Smiles	Fc(cc1)cc2c1[nH]c1nc(SCc(cc3)ccc3Cl)nnc12
InChI	InChI=1S/C16H10ClFN4S/c17-10-3-1-9(2-4-10)8-23-16-20-15-14(21-22-16)12-7-11(18)5-6-13(12)19-15/h1-7H,8H2,(H,19,20,22)
InChIK	WRPXQRYRFWMTOR-UHFFFAOYSA-N
TotalMolweight	344.8
Molweight	344.8
MonoisotopicMass	344.029871
CLogP	3.9395
CLogS	-6.175
H Acceptors	4
H Donors	1
TotalSurfaceArea	241.09
Relative PSA	0.26708
PolarSurfaceArea	79.76
Druglikeness	-1.4125
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.65217
Fragments	1
Non HAtoms	23
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	19
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	4
StereoCon

Click to Load Molecule:

1 - 3-[(4-chlorophenyl)methylsulfanyl]-8-fluoro-5H-[1,2,4]triazino[5,6-b]indole | 2 - 3-[(4-chlorophenyl)methylsulfanyl]-8-fluoro-5H-[1,2,4]triazino[5,6-b]indole

Request More Details | 3-[(4-chlorophenyl)methylsulfanyl]-8-fluoro-5H-[1,2,4]triazino[5,6-b]indole

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments