2-N-[(Z)-benzylideneamino]-4-N-phenyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine

Formula:C20H21N7 Mutagenic:high Tumorigenic:none Reproductive Effective:none 2-N-[(Z)-benzylideneamino]-4-N-phenyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine is not a drug-like molecule.

MolName	2-N-[(Z)-benzylideneamino]-4-N-phenyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
MolecularFormula	C20H21N7
Smiles	C(CC1)CN1c1nc(N/N=C\c2ccccc2)nc(Nc2ccccc2)n1
InChI	InChI=1S/C20H21N7/c1-3-9-16(10-4-1)15-21-26-19-23-18(22-17-11-5-2-6-12-17)24-20(25-19)27-13-7-8-14-27/h1-6,9-12,15H,7-8,13-14H2,(H2,22,23,24,25,26)
InChIK	GFOUKZLYBIACKZ-UHFFFAOYSA-N
TotalMolweight	359.436
Molweight	359.436
MonoisotopicMass	359.185843
CLogP	6.2839
CLogS	-5.635
H Acceptors	7
H Donors	2
TotalSurfaceArea	288.58
Relative PSA	0.24565
PolarSurfaceArea	78.33
Druglikeness	4.3575
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.55556
Fragments	1
Non HAtoms	27
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	4
Symmetricatoms	6
Aromatic Nitrogens	3
BasicNitrogens	3
StereoCon

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