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

Formula:C22H19N7O Mutagenic:high Tumorigenic:none Reproductive Effective:none 2-N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine is not a drug-like molecule.

MolName	2-N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
MolecularFormula	C22H19N7O
Smiles	C(/C=N\Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1)=C/c1ccco1
InChI	InChI=1S/C22H19N7O/c1-3-9-17(10-4-1)24-20-26-21(25-18-11-5-2-6-12-18)28-22(27-20)29-23-15-7-13-19-14-8-16-30-19/h1-16H,(H3,24,25,26,27,28,29)
InChIK	KTNRXDLOEQBBNV-UHFFFAOYSA-N
TotalMolweight	397.441
Molweight	397.441
MonoisotopicMass	397.165108
CLogP	6.5303
CLogS	-6.465
H Acceptors	8
H Donors	3
TotalSurfaceArea	324.15
Relative PSA	0.28663
PolarSurfaceArea	100.26
Druglikeness	2.0589
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.53333
Fragments	1
Non HAtoms	30
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Symmetricatoms	11
Aromatic Nitrogens	3
BasicNitrogens	3
StereoCon

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

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