5-N-(4-iodophenyl)-6-phenyl-1,2,4-triazine-3,5-diamine

Formula:C15H12N5I Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-N-(4-iodophenyl)-6-phenyl-1,2,4-triazine-3,5-diamine is a drug-like molecule.

MolName	5-N-(4-iodophenyl)-6-phenyl-1,2,4-triazine-3,5-diamine
MolecularFormula	C15H12N5I
Smiles	Nc1nnc(-c2ccccc2)c(Nc(cc2)ccc2I)n1
InChI	InChI=1S/C15H12IN5/c16-11-6-8-12(9-7-11)18-14-13(20-21-15(17)19-14)10-4-2-1-3-5-10/h1-9H,(H3,17,18,19,21)
InChIK	ISMSBTSSJUJFRF-UHFFFAOYSA-N
TotalMolweight	389.195
Molweight	389.195
MonoisotopicMass	389.013743
CLogP	3.0288
CLogS	-5.405
H Acceptors	5
H Donors	2
TotalSurfaceArea	235.32
Relative PSA	0.25344
PolarSurfaceArea	76.72
Druglikeness	0.0081833
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57143
Fragments	1
Non HAtoms	21
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Symmetricatoms	4
Aromatic Nitrogens	3
StereoCon

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