4-N,6-N-diphenyl-2-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1,3,5-triazine-2,4,6-triamine

Formula:C24H21N7 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-N,6-N-diphenyl-2-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1,3,5-triazine-2,4,6-triamine is not a drug-like molecule.

MolName	4-N,6-N-diphenyl-2-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1,3,5-triazine-2,4,6-triamine
MolecularFormula	C24H21N7
Smiles	C(/C=N\Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1)=C/c1ccccc1
InChI	InChI=1S/C24H21N7/c1-4-11-19(12-5-1)13-10-18-25-31-24-29-22(26-20-14-6-2-7-15-20)28-23(30-24)27-21-16-8-3-9-17-21/h1-18H,(H3,26,27,28,29,30,31)
InChIK	MGBGHOVQTPJKHD-UHFFFAOYSA-N
TotalMolweight	407.48
Molweight	407.48
MonoisotopicMass	407.185843
CLogP	7.3416
CLogS	-6.783
H Acceptors	7
H Donors	3
TotalSurfaceArea	334.46
Relative PSA	0.2356
PolarSurfaceArea	87.12
Druglikeness	2.4561
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.54839
Fragments	1
Non HAtoms	31
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	24
Symmetricatoms	13
Aromatic Nitrogens	3
BasicNitrogens	3
StereoCon

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1 - 4-N,6-N-diphenyl-2-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1,3,5-triazine-2,4,6-triamine | 2 - 4-N,6-N-diphenyl-2-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1,3,5-triazine-2,4,6-triamine

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