6-[(E)-2-(4-fluorophenyl)ethenyl]-1,3,5-triazine-2,4-diamine

Formula:C11H10N5F Mutagenic:high Tumorigenic:low Reproductive Effective:high 6-[(E)-2-(4-fluorophenyl)ethenyl]-1,3,5-triazine-2,4-diamine is a drug-like molecule.

MolName6-[(E)-2-(4-fluorophenyl)ethenyl]-1,3,5-triazine-2,4-diamine
MolecularFormulaC11H10N5F
SmilesNc1nc(/C=C/c(cc2)ccc2F)nc(N)n1
InChIInChI=1S/C11H10FN5/c12-8-4-1-7(2-5-8)3-6-9-15-10(13)17-11(14)16-9/h1-6H,(H4,13,14,15,16,17)
InChIKKEFIPGJZEKGYMN-UHFFFAOYSA-N
TotalMolweight231.233
Molweight231.233
MonoisotopicMass231.092023
CLogP1.5544
CLogS-3.417
H Acceptors5
H Donors2
TotalSurfaceArea179.19
Relative PSA0.35409
PolarSurfaceArea90.71
Druglikeness-2.7751
Mutagenichigh
Tumorigeniclow
Reproductive Effectivehigh
Irritanthigh
Nasty Functions
Shape Index0.64706
Fragments1
Non HAtoms17
NonCHAtoms6
Electronegative Atoms6
Rotatable Bond2
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms12
Symmetricatoms5
Aromatic Nitrogens3
StereoCon

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