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

Formula:C20H19N7Cl2 Mutagenic:high Tumorigenic:none Reproductive Effective:none 2-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-4-N-phenyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine is not a drug-like molecule.

MolName	2-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-4-N-phenyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
MolecularFormula	C20H19N7Cl2
Smiles	Clc(cccc1/C=N\Nc2nc(N3CCCC3)nc(Nc3ccccc3)n2)c1Cl
InChI	InChI=1S/C20H19Cl2N7/c21-16-10-6-7-14(17(16)22)13-23-28-19-25-18(24-15-8-2-1-3-9-15)26-20(27-19)29-11-4-5-12-29/h1-3,6-10,13H,4-5,11-12H2,(H2,24,25,26,27,28)
InChIK	HPCYDGDIVIEKEE-UHFFFAOYSA-N
TotalMolweight	428.326
Molweight	428.326
MonoisotopicMass	427.107897
CLogP	7.4959
CLogS	-7.107
H Acceptors	7
H Donors	2
TotalSurfaceArea	319.42
Relative PSA	0.22193
PolarSurfaceArea	78.33
Druglikeness	4.3452
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.51724
Fragments	1
Non HAtoms	29
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	4
Symmetricatoms	4
Aromatic Nitrogens	3
BasicNitrogens	3
StereoCon

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

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