N-[(Z)-(4-chlorophenyl)methylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine

Formula:C16H11N6Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-(4-chlorophenyl)methylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine is not a drug-like molecule.

MolName	N-[(Z)-(4-chlorophenyl)methylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine
MolecularFormula	C16H11N6Cl
Smiles	Clc1ccc(/C=N\Nc2nnc(c(cccc3)c3[nH]3)c3n2)cc1
InChI	InChI=1S/C16H11ClN6/c17-11-7-5-10(6-8-11)9-18-22-16-20-15-14(21-23-16)12-3-1-2-4-13(12)19-15/h1-9H,(H2,19,20,22,23)
InChIK	HLXWGDPPPMQQLQ-UHFFFAOYSA-N
TotalMolweight	322.758
Molweight	322.758
MonoisotopicMass	322.073371
CLogP	5.186
CLogS	-5.467
H Acceptors	6
H Donors	2
TotalSurfaceArea	239.71
Relative PSA	0.29148
PolarSurfaceArea	78.85
Druglikeness	2.5311
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.65217
Fragments	1
Non HAtoms	23
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	19
Symmetricatoms	2
Aromatic Nitrogens	4
StereoCon

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