3,5,6-trichloro-N-[(E)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]pyridin-2-amine

Formula:C16H14N3Cl3 Mutagenic:high Tumorigenic:none Reproductive Effective:low 3,5,6-trichloro-N-[(E)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]pyridin-2-amine is not a drug-like molecule.

MolName	3,5,6-trichloro-N-[(E)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]pyridin-2-amine
MolecularFormula	C16H14N3Cl3
Smiles	Clc(cc1Cl)c(N/N=C(\CCCC2)/c3c2cccc3)nc1Cl
InChI	InChI=1S/C16H14Cl3N3/c17-12-9-13(18)16(20-15(12)19)22-21-14-8-4-2-6-10-5-1-3-7-11(10)14/h1,3,5,7,9H,2,4,6,8H2,(H,20,22)
InChIK	JDQHMWBFJSSDKJ-UHFFFAOYSA-N
TotalMolweight	354.667
Molweight	354.667
MonoisotopicMass	353.025328
CLogP	7.1215
CLogS	-6.069
H Acceptors	3
H Donors	1
TotalSurfaceArea	254.01
Relative PSA	0.13362
PolarSurfaceArea	37.28
Druglikeness	-3.8634
Mutagenic	high
Tumorigenic	none
Reproductive Effective	low
Irritant	low
Nasty Functions	polyhalo aromatic ring
Shape Index	0.54545
Fragments	1
Non HAtoms	22
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	2
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Aromatic Nitrogens	1
BasicNitrogens	1
StereoCon

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1 - 3,5,6-trichloro-N-[(E)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]pyridin-2-amine | 2 - 3,5,6-trichloro-N-[(E)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]pyridin-2-amine

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