4-[(E)-2-[4-[(E)-2-(2,6-diaminopyrimidin-4-yl)ethenyl]phenyl]ethenyl]benzenesulfonyl fluoride

Formula:C20H17N4O2FS Mutagenic:low Tumorigenic:none Reproductive Effective:none 4-[(E)-2-[4-[(E)-2-(2,6-diaminopyrimidin-4-yl)ethenyl]phenyl]ethenyl]benzenesulfonyl fluoride is a drug-like molecule.

MolName	4-[(E)-2-[4-[(E)-2-(2,6-diaminopyrimidin-4-yl)ethenyl]phenyl]ethenyl]benzenesulfonyl fluoride
MolecularFormula	C20H17N4O2FS
Smiles	Nc1cc(/C=C/c2ccc(/C=C/c(cc3)ccc3S(F)(=O)=O)cc2)nc(N)n1
InChI	InChI=1S/C20H17FN4O2S/c21-28(26,27)18-11-8-16(9-12-18)6-3-14-1-4-15(5-2-14)7-10-17-13-19(22)25-20(23)24-17/h1-13H,(H4,22,23,24,25)
InChIK	VVFNHPPHPNHNBI-UHFFFAOYSA-N
TotalMolweight	396.445
Molweight	396.445
MonoisotopicMass	396.105624
CLogP	4.0084
CLogS	-4.271
H Acceptors	6
H Donors	2
TotalSurfaceArea	295.27
Relative PSA	0.27453
PolarSurfaceArea	120.34
Druglikeness	-4.8809
Mutagenic	low
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	acyl-halogenide type
Shape Index	0.64286
Fragments	1
Non HAtoms	28
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	1
Symmetricatoms	5
Aromatic Nitrogens	2
BasicNitrogens	2
StereoCon

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